3-[1-[1-(cyclohexylmethyl)piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;bis(3-[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-1-(1H-inden-5-yl)propan-1-one);N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]-2-methoxybenzamide;molecular hydrogen

C113H144Cl6N10O5 — CID 161119371

IUPAC3-[1-[1-(cyclohexylmethyl)piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;bis(3-[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-1-(1H-inden-5-yl)propan-1-one);N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]-2-methoxybenzamide;molecular hydrogen
SMILESCOc1ccccc1C(=O)NCC1CCCN(C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1.O=C(CCC1CCCN(C2CCN(CC3CCCCC3)CC2)C1)c1ccc2ncccc2c1.O=C(CCC1CCCN(C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1ccc2c(c1)C=CC2.O=C(CCC1CCCN(C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1ccc2c(c1)C=CC2.[H][H]
InChIInChI=1S/2C29H34Cl2N2O.C29H41N3O.C26H33Cl2N3O2.H2/c2*30-27-10-6-22(17-28(27)31)19-32-15-12-26(13-16-32)33-14-2-3-21(20-33)7-11-29(34)25-9-8-23-4-1-5-24(23)18-25;33-29(26-11-12-28-25(20-26)9-4-16-30-28)13-10-24-8-5-17-32(22-24)27-14-18-31(19-15-27)21-23-6-2-1-3-7-23;1-33-25-7-3-2-6-22(25)26(32)29-16-20-5-4-12-31(18-20)21-10-13-30(14-11-21)17-19-8-9-23(27)24(28)15-19;/h2*1,5-6,8-10,17-18,21,26H,2-4,7,11-16,19-20H2;4,9,11-12,16,20,23-24,27H,1-3,5-8,10,13-15,17-19,21-22H2;2-3,6-9,15,20-21H,4-5,10-14,16-18H2,1H3,(H,29,32);1H
InChIKeyUKTBSKDVSUDULE-UHFFFAOYSA-N
MW1935.18 g/mol
LogP25.11
Rot. Bonds28

About 3-[1-[1-(cyclohexylmethyl)piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;bis(3-[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-1-(1H-inden-5-yl)propan-1-one);N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]-2-methoxybenzamide;molecular hydrogen

3-[1-[1-(cyclohexylmethyl)piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;bis(3-[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-1-(1H-inden-5-yl)propan-1-one);N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]-2-methoxybenzamide;molecular hydrogen (PubChem CID 161119371) has the molecular formula C113H144Cl6N10O5 and a molecular weight of 1935.18 g/mol. Its IUPAC name is 3-[1-[1-(cyclohexylmethyl)piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;bis(3-[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-1-(1H-inden-5-yl)propan-1-one);N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]-2-methoxybenzamide;molecular hydrogen.

Molecular Properties

Compound Name3-[1-[1-(cyclohexylmethyl)piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;bis(3-[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-1-(1H-inden-5-yl)propan-1-one);N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]-2-methoxybenzamide;molecular hydrogen
PubChem CID161119371
Molecular FormulaC113H144Cl6N10O5
Molecular Weight1935.18 g/mol
Exact Mass1930.95
IUPAC Name3-[1-[1-(cyclohexylmethyl)piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;bis(3-[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-1-(1H-inden-5-yl)propan-1-one);N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]-2-methoxybenzamide;molecular hydrogen
SMILESCOc1ccccc1C(=O)NCC1CCCN(C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1.O=C(CCC1CCCN(C2CCN(CC3CCCCC3)CC2)C1)c1ccc2ncccc2c1.O=C(CCC1CCCN(C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1ccc2c(c1)C=CC2.O=C(CCC1CCCN(C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1ccc2c(c1)C=CC2.[H][H]
InChIInChI=1S/2C29H34Cl2N2O.C29H41N3O.C26H33Cl2N3O2.H2/c2*30-27-10-6-22(17-28(27)31)19-32-15-12-26(13-16-32)33-14-2-3-21(20-33)7-11-29(34)25-9-8-23-4-1-5-24(23)18-25;33-29(26-11-12-28-25(20-26)9-4-16-30-28)13-10-24-8-5-17-32(22-24)27-14-18-31(19-15-27)21-23-6-2-1-3-7-23;1-33-25-7-3-2-6-22(25)26(32)29-16-20-5-4-12-31(18-20)21-10-13-30(14-11-21)17-19-8-9-23(27)24(28)15-19;/h2*1,5-6,8-10,17-18,21,26H,2-4,7,11-16,19-20H2;4,9,11-12,16,20,23-24,27H,1-3,5-8,10,13-15,17-19,21-22H2;2-3,6-9,15,20-21H,4-5,10-14,16-18H2,1H3,(H,29,32);1H
InChIKeyUKTBSKDVSUDULE-UHFFFAOYSA-N
XLogP25.11
TPSA128.35 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds28
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001935.18
LogP ≤ 525.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 3-[1-[1-(cyclohexylmethyl)piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;bis(3-[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-1-(1H-inden-5-yl)propan-1-one);N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]-2-methoxybenzamide;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(cyclohexylmethyl)piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;bis(3-[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-1-(1H-inden-5-yl)propan-1-one);N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]-2-methoxybenzamide;molecular hydrogen?
The IUPAC name of 3-[1-[1-(cyclohexylmethyl)piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;bis(3-[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-1-(1H-inden-5-yl)propan-1-one);N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]-2-methoxybenzamide;molecular hydrogen (CID 161119371) is 3-[1-[1-(cyclohexylmethyl)piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;bis(3-[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-1-(1H-inden-5-yl)propan-1-one);N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]-2-methoxybenzamide;molecular hydrogen.
What is the SMILES notation for 3-[1-[1-(cyclohexylmethyl)piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;bis(3-[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-1-(1H-inden-5-yl)propan-1-one);N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]-2-methoxybenzamide;molecular hydrogen?
The canonical SMILES for 3-[1-[1-(cyclohexylmethyl)piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;bis(3-[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-1-(1H-inden-5-yl)propan-1-one);N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]-2-methoxybenzamide;molecular hydrogen is COc1ccccc1C(=O)NCC1CCCN(C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1.O=C(CCC1CCCN(C2CCN(CC3CCCCC3)CC2)C1)c1ccc2ncccc2c1.O=C(CCC1CCCN(C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1ccc2c(c1)C=CC2.O=C(CCC1CCCN(C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1ccc2c(c1)C=CC2.[H][H].
What is the InChIKey of 3-[1-[1-(cyclohexylmethyl)piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;bis(3-[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-1-(1H-inden-5-yl)propan-1-one);N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]-2-methoxybenzamide;molecular hydrogen?
The InChIKey is UKTBSKDVSUDULE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H34Cl2N2O.C29H41N3O.C26H33Cl2N3O2.H2/c2*30-27-10-6-22(17-28(27)31)19-32-15-12-26(13-16-32)33-14-2-3-21(20-33)7-11-29(34)25-9-8-23-4-1-5-24(23)18-25;33-29(26-11-12-28-25(20-26)9-4-16-30-28)13-10-24-8-5-17-32(22-24)27-14-18-31(19-15-27)21-23-6-2-1-3-7-23;1-33-25-7-3-2-6-22(25)26(32)29-16-20-5-4-12-31(18-20)21-10-13-30(14-11-21)17-19-8-9-23(27)24(28)15-19;/h2*1,5-6,8-10,17-18,21,26H,2-4,7,11-16,19-20H2;4,9,11-12,16,20,23-24,27H,1-3,5-8,10,13-15,17-19,21-22H2;2-3,6-9,15,20-21H,4-5,10-14,16-18H2,1H3,(H,29,32);1H.
What are the key properties of 3-[1-[1-(cyclohexylmethyl)piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;bis(3-[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-1-(1H-inden-5-yl)propan-1-one);N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]-2-methoxybenzamide;molecular hydrogen?
3-[1-[1-(cyclohexylmethyl)piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;bis(3-[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-1-(1H-inden-5-yl)propan-1-one);N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]-2-methoxybenzamide;molecular hydrogen has a molecular weight of 1935.18 g/mol, XLogP of 25.11, 28 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(cyclohexylmethyl)piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;bis(3-[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-1-(1H-inden-5-yl)propan-1-one);N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]-2-methoxybenzamide;molecular hydrogen is sourced from PubChem (CID 161119371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).