N-(1,7-diphenylheptan-4-yl)-1-[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-2-carbonyl]piperidine-4-carboxamide

C43H54N4O4 — CID 23531927

IUPACN-(1,7-diphenylheptan-4-yl)-1-[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-2-carbonyl]piperidine-4-carboxamide
SMILESO=C(NC(CCCc1ccccc1)CCCc1ccccc1)C1CCN(C(=O)C2CCCCN2CC(O)COc2cccc3ncccc23)CC1
InChIInChI=1S/C43H54N4O4/c48-37(32-51-41-24-11-22-39-38(41)21-12-27-44-39)31-47-28-8-7-23-40(47)43(50)46-29-25-35(26-30-46)42(49)45-36(19-9-17-33-13-3-1-4-14-33)20-10-18-34-15-5-2-6-16-34/h1-6,11-16,21-22,24,27,35-37,40,48H,7-10,17-20,23,25-26,28-32H2,(H,45,49)
InChIKeyHWXAYXFRSHJJEZ-UHFFFAOYSA-N
MW690.93 g/mol
LogP6.60
Rot. Bonds16

About N-(1,7-diphenylheptan-4-yl)-1-[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-2-carbonyl]piperidine-4-carboxamide

N-(1,7-diphenylheptan-4-yl)-1-[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-2-carbonyl]piperidine-4-carboxamide (PubChem CID 23531927) has the molecular formula C43H54N4O4 and a molecular weight of 690.93 g/mol. Its IUPAC name is N-(1,7-diphenylheptan-4-yl)-1-[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-2-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,7-diphenylheptan-4-yl)-1-[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-2-carbonyl]piperidine-4-carboxamide
PubChem CID23531927
Molecular FormulaC43H54N4O4
Molecular Weight690.93 g/mol
Exact Mass690.41
IUPAC NameN-(1,7-diphenylheptan-4-yl)-1-[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-2-carbonyl]piperidine-4-carboxamide
SMILESO=C(NC(CCCc1ccccc1)CCCc1ccccc1)C1CCN(C(=O)C2CCCCN2CC(O)COc2cccc3ncccc23)CC1
InChIInChI=1S/C43H54N4O4/c48-37(32-51-41-24-11-22-39-38(41)21-12-27-44-39)31-47-28-8-7-23-40(47)43(50)46-29-25-35(26-30-46)42(49)45-36(19-9-17-33-13-3-1-4-14-33)20-10-18-34-15-5-2-6-16-34/h1-6,11-16,21-22,24,27,35-37,40,48H,7-10,17-20,23,25-26,28-32H2,(H,45,49)
InChIKeyHWXAYXFRSHJJEZ-UHFFFAOYSA-N
XLogP6.60
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.93
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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)-4-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]-1-(6-phenylhexanoyl)piperazine-2-carboxamide
CID 59912221
N-(1,7-diphenylheptan-4-yl)-4-[(2S)-2-hydroxy-3-quinolin-5-yloxypropyl]-1-(3-pyridin-3-ylpropanoyl)piperazine-2-carboxamide
CID 10212289
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
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
N-(1,7-diphenylheptan-4-yl)-2-[4-[(2R)-2-ethoxy-3-quinolin-5-yloxypropyl]piperazin-1-yl]acetamide
CID 142137863
N-(1,7-diphenylheptan-4-yl)-2-[1-(3-quinolin-5-yloxypropyl)piperidin-4-yl]acetamide
CID 142138134
4-[[2-[4-[(2R)-2-methoxy-3-quinolin-5-yloxypropyl]piperazin-1-yl]acetyl]amino]-N-[1-(5-methylcyclohexa-1,3-dien-1-yl)-7-phenylheptan-4-yl]cyclohexane-1-carboxamide
CID 142137858
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
1-(2-hydroxy-3-naphthalen-1-yloxypropyl)pyrrolidine-2-carboxylic acid
CID 110182844
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

Frequently Asked Questions

What is the IUPAC name of N-(1,7-diphenylheptan-4-yl)-1-[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-2-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-(1,7-diphenylheptan-4-yl)-1-[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-2-carbonyl]piperidine-4-carboxamide (CID 23531927) is N-(1,7-diphenylheptan-4-yl)-1-[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-2-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1,7-diphenylheptan-4-yl)-1-[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-2-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(1,7-diphenylheptan-4-yl)-1-[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-2-carbonyl]piperidine-4-carboxamide is O=C(NC(CCCc1ccccc1)CCCc1ccccc1)C1CCN(C(=O)C2CCCCN2CC(O)COc2cccc3ncccc23)CC1.
What is the InChIKey of N-(1,7-diphenylheptan-4-yl)-1-[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-2-carbonyl]piperidine-4-carboxamide?
The InChIKey is HWXAYXFRSHJJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H54N4O4/c48-37(32-51-41-24-11-22-39-38(41)21-12-27-44-39)31-47-28-8-7-23-40(47)43(50)46-29-25-35(26-30-46)42(49)45-36(19-9-17-33-13-3-1-4-14-33)20-10-18-34-15-5-2-6-16-34/h1-6,11-16,21-22,24,27,35-37,40,48H,7-10,17-20,23,25-26,28-32H2,(H,45,49).
What are the key properties of N-(1,7-diphenylheptan-4-yl)-1-[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-2-carbonyl]piperidine-4-carboxamide?
N-(1,7-diphenylheptan-4-yl)-1-[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-2-carbonyl]piperidine-4-carboxamide has a molecular weight of 690.93 g/mol, XLogP of 6.60, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,7-diphenylheptan-4-yl)-1-[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-2-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 23531927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).