2-cyclopentyl-2-hydroxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide

C26H34N2O3 — CID 11796509

IUPAC2-cyclopentyl-2-hydroxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide
SMILESCOc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)c1
InChIInChI=1S/C26H34N2O3/c1-31-24-13-7-8-20(18-24)19-28-16-14-23(15-17-28)27-25(29)26(30,22-11-5-6-12-22)21-9-3-2-4-10-21/h2-4,7-10,13,18,22-23,30H,5-6,11-12,14-17,19H2,1H3,(H,27,29)
InChIKeyLRYVHUGMUSRZRA-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.85
Rot. Bonds7

About 2-cyclopentyl-2-hydroxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide

2-cyclopentyl-2-hydroxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide (PubChem CID 11796509) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is 2-cyclopentyl-2-hydroxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide.

Molecular Properties

Compound Name2-cyclopentyl-2-hydroxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide
PubChem CID11796509
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC Name2-cyclopentyl-2-hydroxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide
SMILESCOc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)c1
InChIInChI=1S/C26H34N2O3/c1-31-24-13-7-8-20(18-24)19-28-16-14-23(15-17-28)27-25(29)26(30,22-11-5-6-12-22)21-9-3-2-4-10-21/h2-4,7-10,13,18,22-23,30H,5-6,11-12,14-17,19H2,1H3,(H,27,29)
InChIKeyLRYVHUGMUSRZRA-UHFFFAOYSA-N
XLogP3.85
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-(2-methoxyphenyl)acetamide
CID 2729533
N-(1-Benzyl-4-piperidinyl)-2-(4-methoxyphenyl)acetamide
CID 3296345
4-((alpha-R)-alpha-((2S,5R)-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-N,N-diethylbenzamide
CID 10573581
N,N-diethyl-4-[(3-methoxyphenyl)(2,5,5-trimethylpiperazin-1-yl)methyl]benzamide
CID 10598391
N,N-Diethyl-4-[(3-methoxy-phenyl)-(2,2,5-trimethyl-piperazin-1-yl)-methyl]-benzamide
CID 10598392
2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-N-[1-(3-methoxy-benzyl)-piperidin-4-yl]-2-phenyl-acetamide
CID 11798126
(3S,4R)-N-cyclopropyl-4-hydroxy-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-phenylpiperidine-3-carboxamide
CID 42641334
(3S,4R)-N-cyclopropyl-4-hydroxy-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(3-methoxyphenyl)piperidine-3-carboxamide
CID 42641674
(S)-N-(3-(4-(2-(4-methoxyphenyl)acetamido)piperidin-1-yl)-1-phenylpropyl)cyclobutanecarboxamide
CID 44590584
N-allyl-N-(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)-2-(4-methoxyphenyl)acetamide
CID 49798130
4-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-methoxy-phenyl)-methyl]-N-(1-ethyl-propyl)-benzamide
CID 5471113
N-[3-(2,6-Dimethyl-piperidin-1-yl)-propyl]-2,2-bis-(4-methoxy-phenyl)-acetamide
CID 10093851

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-hydroxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide?
The IUPAC name of 2-cyclopentyl-2-hydroxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide (CID 11796509) is 2-cyclopentyl-2-hydroxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide.
What is the SMILES notation for 2-cyclopentyl-2-hydroxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide?
The canonical SMILES for 2-cyclopentyl-2-hydroxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide is COc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)c1.
What is the InChIKey of 2-cyclopentyl-2-hydroxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide?
The InChIKey is LRYVHUGMUSRZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-31-24-13-7-8-20(18-24)19-28-16-14-23(15-17-28)27-25(29)26(30,22-11-5-6-12-22)21-9-3-2-4-10-21/h2-4,7-10,13,18,22-23,30H,5-6,11-12,14-17,19H2,1H3,(H,27,29).
What are the key properties of 2-cyclopentyl-2-hydroxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide?
2-cyclopentyl-2-hydroxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide has a molecular weight of 422.57 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-hydroxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide is sourced from PubChem (CID 11796509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).