N-[[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidin-4-yl]methyl]-5-phenyl-2-(3-phenylpropyl)pentanamide;methane;5-[2-[(2S)-oxiran-2-yl]ethyl]quinoline;5-phenyl-2-(3-phenylpropyl)-N-(piperidin-4-ylmethyl)pentanamide

C78H100N6O5 — CID 161273194

IUPACN-[[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidin-4-yl]methyl]-5-phenyl-2-(3-phenylpropyl)pentanamide;methane;5-[2-[(2S)-oxiran-2-yl]ethyl]quinoline;5-phenyl-2-(3-phenylpropyl)-N-(piperidin-4-ylmethyl)pentanamide
SMILESC.O=C(NCC1CCN(CC(O)COc2cccc3ncccc23)CC1)C(CCCc1ccccc1)CCCc1ccccc1.O=C(NCC1CCNCC1)C(CCCc1ccccc1)CCCc1ccccc1.c1cc(CC[C@H]2CO2)c2cccnc2c1
InChIInChI=1S/C38H47N3O3.C26H36N2O.C13H13NO.CH4/c42-34(29-44-37-21-9-20-36-35(37)19-10-24-39-36)28-41-25-22-32(23-26-41)27-40-38(43)33(17-7-15-30-11-3-1-4-12-30)18-8-16-31-13-5-2-6-14-31;29-26(28-21-24-17-19-27-20-18-24)25(15-7-13-22-9-3-1-4-10-22)16-8-14-23-11-5-2-6-12-23;1-3-10(6-7-11-9-15-11)12-4-2-8-14-13(12)5-1;/h1-6,9-14,19-21,24,32-34,42H,7-8,15-18,22-23,25-29H2,(H,40,43);1-6,9-12,24-25,27H,7-8,13-21H2,(H,28,29);1-5,8,11H,6-7,9H2;1H4/t;;11-;/m..0./s1
InChIKeyVECBZPMFZDXWTL-MCWBHULYSA-N
MW1201.69 g/mol
LogP14.43
Rot. Bonds30

About N-[[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidin-4-yl]methyl]-5-phenyl-2-(3-phenylpropyl)pentanamide;methane;5-[2-[(2S)-oxiran-2-yl]ethyl]quinoline;5-phenyl-2-(3-phenylpropyl)-N-(piperidin-4-ylmethyl)pentanamide

N-[[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidin-4-yl]methyl]-5-phenyl-2-(3-phenylpropyl)pentanamide;methane;5-[2-[(2S)-oxiran-2-yl]ethyl]quinoline;5-phenyl-2-(3-phenylpropyl)-N-(piperidin-4-ylmethyl)pentanamide (PubChem CID 161273194) has the molecular formula C78H100N6O5 and a molecular weight of 1201.69 g/mol. Its IUPAC name is N-[[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidin-4-yl]methyl]-5-phenyl-2-(3-phenylpropyl)pentanamide;methane;5-[2-[(2S)-oxiran-2-yl]ethyl]quinoline;5-phenyl-2-(3-phenylpropyl)-N-(piperidin-4-ylmethyl)pentanamide.

Molecular Properties

Compound NameN-[[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidin-4-yl]methyl]-5-phenyl-2-(3-phenylpropyl)pentanamide;methane;5-[2-[(2S)-oxiran-2-yl]ethyl]quinoline;5-phenyl-2-(3-phenylpropyl)-N-(piperidin-4-ylmethyl)pentanamide
PubChem CID161273194
Molecular FormulaC78H100N6O5
Molecular Weight1201.69 g/mol
Exact Mass1200.78
IUPAC NameN-[[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidin-4-yl]methyl]-5-phenyl-2-(3-phenylpropyl)pentanamide;methane;5-[2-[(2S)-oxiran-2-yl]ethyl]quinoline;5-phenyl-2-(3-phenylpropyl)-N-(piperidin-4-ylmethyl)pentanamide
SMILESC.O=C(NCC1CCN(CC(O)COc2cccc3ncccc23)CC1)C(CCCc1ccccc1)CCCc1ccccc1.O=C(NCC1CCNCC1)C(CCCc1ccccc1)CCCc1ccccc1.c1cc(CC[C@H]2CO2)c2cccnc2c1
InChIInChI=1S/C38H47N3O3.C26H36N2O.C13H13NO.CH4/c42-34(29-44-37-21-9-20-36-35(37)19-10-24-39-36)28-41-25-22-32(23-26-41)27-40-38(43)33(17-7-15-30-11-3-1-4-12-30)18-8-16-31-13-5-2-6-14-31;29-26(28-21-24-17-19-27-20-18-24)25(15-7-13-22-9-3-1-4-10-22)16-8-14-23-11-5-2-6-12-23;1-3-10(6-7-11-9-15-11)12-4-2-8-14-13(12)5-1;/h1-6,9-14,19-21,24,32-34,42H,7-8,15-18,22-23,25-29H2,(H,40,43);1-6,9-12,24-25,27H,7-8,13-21H2,(H,28,29);1-5,8,11H,6-7,9H2;1H4/t;;11-;/m..0./s1
InChIKeyVECBZPMFZDXWTL-MCWBHULYSA-N
XLogP14.43
TPSA141.24 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds30
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001201.69
LogP ≤ 514.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze N-[[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidin-4-yl]methyl]-5-phenyl-2-(3-phenylpropyl)pentanamide;methane;5-[2-[(2S)-oxiran-2-yl]ethyl]quinoline;5-phenyl-2-(3-phenylpropyl)-N-(piperidin-4-ylmethyl)pentanamide with MolForge

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Related Compounds

N-(1,7-diphenylheptan-4-yl)-2-[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidin-4-yl]acetamide;N-(1,7-diphenylheptan-4-yl)-2-piperidin-4-ylacetamide;methane;5-(oxiran-2-ylmethoxy)quinoline
CID 159398368
1-[4-[1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidin-4-yl]piperazin-1-yl]-5-phenyl-2-(3-phenylpropyl)pentan-1-one;5-(oxiran-2-ylmethoxy)quinoline;5-phenyl-2-(3-phenylpropyl)-1-(4-piperidin-4-ylpiperazin-1-yl)pentan-1-one
CID 157441573
N-(1,7-diphenylheptan-4-yl)-1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-4-carboxamide
CID 12020252
N-(1,7-diphenylheptan-4-yl)-3-[4-(2-hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]-3-oxopropanamide
CID 20622404
1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-4-carboxylic acid
CID 18727458
lithium;1-[(2S)-2-hydroxy-4-quinolin-5-ylbutyl]-N-(4-phenylbutyl)piperidine-3-carboxamide;1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-3-carboxylate;2-phenylethanamine
CID 159923892
N-(1,7-diphenylheptan-4-yl)-4-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]-1-(6-phenylhexanoyl)piperazine-2-carboxamide
CID 59912221
N-(1,7-diphenylheptan-4-yl)-1-[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-2-carbonyl]piperidine-4-carboxamide
CID 23531927
N-(1,7-diphenylheptan-4-yl)-2-[1-(3-quinolin-5-yloxypropyl)piperidin-4-yl]acetamide
CID 142138134
N-(1,7-diphenylheptan-4-yl)-4-[(2S)-2-hydroxy-3-quinolin-5-yloxypropyl]-1-(3-pyridin-3-ylpropanoyl)piperazine-2-carboxamide
CID 10212289
lithium;1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-4-carboxylate;[1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidin-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;methane;1-(2-methylphenyl)piperazine;hydrochloride
CID 160831083
[4-(2-hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone
CID 10791379

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidin-4-yl]methyl]-5-phenyl-2-(3-phenylpropyl)pentanamide;methane;5-[2-[(2S)-oxiran-2-yl]ethyl]quinoline;5-phenyl-2-(3-phenylpropyl)-N-(piperidin-4-ylmethyl)pentanamide?
The IUPAC name of N-[[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidin-4-yl]methyl]-5-phenyl-2-(3-phenylpropyl)pentanamide;methane;5-[2-[(2S)-oxiran-2-yl]ethyl]quinoline;5-phenyl-2-(3-phenylpropyl)-N-(piperidin-4-ylmethyl)pentanamide (CID 161273194) is N-[[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidin-4-yl]methyl]-5-phenyl-2-(3-phenylpropyl)pentanamide;methane;5-[2-[(2S)-oxiran-2-yl]ethyl]quinoline;5-phenyl-2-(3-phenylpropyl)-N-(piperidin-4-ylmethyl)pentanamide.
What is the SMILES notation for N-[[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidin-4-yl]methyl]-5-phenyl-2-(3-phenylpropyl)pentanamide;methane;5-[2-[(2S)-oxiran-2-yl]ethyl]quinoline;5-phenyl-2-(3-phenylpropyl)-N-(piperidin-4-ylmethyl)pentanamide?
The canonical SMILES for N-[[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidin-4-yl]methyl]-5-phenyl-2-(3-phenylpropyl)pentanamide;methane;5-[2-[(2S)-oxiran-2-yl]ethyl]quinoline;5-phenyl-2-(3-phenylpropyl)-N-(piperidin-4-ylmethyl)pentanamide is C.O=C(NCC1CCN(CC(O)COc2cccc3ncccc23)CC1)C(CCCc1ccccc1)CCCc1ccccc1.O=C(NCC1CCNCC1)C(CCCc1ccccc1)CCCc1ccccc1.c1cc(CC[C@H]2CO2)c2cccnc2c1.
What is the InChIKey of N-[[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidin-4-yl]methyl]-5-phenyl-2-(3-phenylpropyl)pentanamide;methane;5-[2-[(2S)-oxiran-2-yl]ethyl]quinoline;5-phenyl-2-(3-phenylpropyl)-N-(piperidin-4-ylmethyl)pentanamide?
The InChIKey is VECBZPMFZDXWTL-MCWBHULYSA-N. The full InChI is InChI=1S/C38H47N3O3.C26H36N2O.C13H13NO.CH4/c42-34(29-44-37-21-9-20-36-35(37)19-10-24-39-36)28-41-25-22-32(23-26-41)27-40-38(43)33(17-7-15-30-11-3-1-4-12-30)18-8-16-31-13-5-2-6-14-31;29-26(28-21-24-17-19-27-20-18-24)25(15-7-13-22-9-3-1-4-10-22)16-8-14-23-11-5-2-6-12-23;1-3-10(6-7-11-9-15-11)12-4-2-8-14-13(12)5-1;/h1-6,9-14,19-21,24,32-34,42H,7-8,15-18,22-23,25-29H2,(H,40,43);1-6,9-12,24-25,27H,7-8,13-21H2,(H,28,29);1-5,8,11H,6-7,9H2;1H4/t;;11-;/m..0./s1.
What are the key properties of N-[[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidin-4-yl]methyl]-5-phenyl-2-(3-phenylpropyl)pentanamide;methane;5-[2-[(2S)-oxiran-2-yl]ethyl]quinoline;5-phenyl-2-(3-phenylpropyl)-N-(piperidin-4-ylmethyl)pentanamide?
N-[[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidin-4-yl]methyl]-5-phenyl-2-(3-phenylpropyl)pentanamide;methane;5-[2-[(2S)-oxiran-2-yl]ethyl]quinoline;5-phenyl-2-(3-phenylpropyl)-N-(piperidin-4-ylmethyl)pentanamide has a molecular weight of 1201.69 g/mol, XLogP of 14.43, 30 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidin-4-yl]methyl]-5-phenyl-2-(3-phenylpropyl)pentanamide;methane;5-[2-[(2S)-oxiran-2-yl]ethyl]quinoline;5-phenyl-2-(3-phenylpropyl)-N-(piperidin-4-ylmethyl)pentanamide is sourced from PubChem (CID 161273194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).