1-(4-chlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclohexane-1-carboxamide

C32H37ClN2O3 — CID 11541073

IUPAC1-(4-chlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclohexane-1-carboxamide
SMILESCOc1ccccc1Oc1cccc(CN2CCC(NC(=O)C3(c4ccc(Cl)cc4)CCCCC3)CC2)c1
InChIInChI=1S/C32H37ClN2O3/c1-37-29-10-3-4-11-30(29)38-28-9-7-8-24(22-28)23-35-20-16-27(17-21-35)34-31(36)32(18-5-2-6-19-32)25-12-14-26(33)15-13-25/h3-4,7-15,22,27H,2,5-6,16-21,23H2,1H3,(H,34,36)
InChIKeyHEILLZBUQBOKMO-UHFFFAOYSA-N
MW533.11 g/mol
LogP7.12
Rot. Bonds8

About 1-(4-chlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclohexane-1-carboxamide

1-(4-chlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclohexane-1-carboxamide (PubChem CID 11541073) has the molecular formula C32H37ClN2O3 and a molecular weight of 533.11 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclohexane-1-carboxamide
PubChem CID11541073
Molecular FormulaC32H37ClN2O3
Molecular Weight533.11 g/mol
Exact Mass532.25
IUPAC Name1-(4-chlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclohexane-1-carboxamide
SMILESCOc1ccccc1Oc1cccc(CN2CCC(NC(=O)C3(c4ccc(Cl)cc4)CCCCC3)CC2)c1
InChIInChI=1S/C32H37ClN2O3/c1-37-29-10-3-4-11-30(29)38-28-9-7-8-24(22-28)23-35-20-16-27(17-21-35)34-31(36)32(18-5-2-6-19-32)25-12-14-26(33)15-13-25/h3-4,7-15,22,27H,2,5-6,16-21,23H2,1H3,(H,34,36)
InChIKeyHEILLZBUQBOKMO-UHFFFAOYSA-N
XLogP7.12
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.11
LogP ≤ 57.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclohexane-1-carboxamide (CID 11541073) is 1-(4-chlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclohexane-1-carboxamide is COc1ccccc1Oc1cccc(CN2CCC(NC(=O)C3(c4ccc(Cl)cc4)CCCCC3)CC2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclohexane-1-carboxamide?
The InChIKey is HEILLZBUQBOKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37ClN2O3/c1-37-29-10-3-4-11-30(29)38-28-9-7-8-24(22-28)23-35-20-16-27(17-21-35)34-31(36)32(18-5-2-6-19-32)25-12-14-26(33)15-13-25/h3-4,7-15,22,27H,2,5-6,16-21,23H2,1H3,(H,34,36).
What are the key properties of 1-(4-chlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclohexane-1-carboxamide?
1-(4-chlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclohexane-1-carboxamide has a molecular weight of 533.11 g/mol, XLogP of 7.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 11541073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).