N-(4-hydroxy-4-methyl-2-phenyl-1-propylpiperidin-3-yl)cyclopentanecarboxamide

C21H32N2O2 — CID 162968981

IUPACN-(4-hydroxy-4-methyl-2-phenyl-1-propylpiperidin-3-yl)cyclopentanecarboxamide
SMILESCCCN1CCC(C)(O)C(NC(=O)C2CCCC2)C1c1ccccc1
InChIInChI=1S/C21H32N2O2/c1-3-14-23-15-13-21(2,25)19(18(23)16-9-5-4-6-10-16)22-20(24)17-11-7-8-12-17/h4-6,9-10,17-19,25H,3,7-8,11-15H2,1-2H3,(H,22,24)
InChIKeyDWBYMZQIBAZITB-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.27
Rot. Bonds5

About N-(4-hydroxy-4-methyl-2-phenyl-1-propylpiperidin-3-yl)cyclopentanecarboxamide

N-(4-hydroxy-4-methyl-2-phenyl-1-propylpiperidin-3-yl)cyclopentanecarboxamide (PubChem CID 162968981) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-(4-hydroxy-4-methyl-2-phenyl-1-propylpiperidin-3-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-4-methyl-2-phenyl-1-propylpiperidin-3-yl)cyclopentanecarboxamide
PubChem CID162968981
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-(4-hydroxy-4-methyl-2-phenyl-1-propylpiperidin-3-yl)cyclopentanecarboxamide
SMILESCCCN1CCC(C)(O)C(NC(=O)C2CCCC2)C1c1ccccc1
InChIInChI=1S/C21H32N2O2/c1-3-14-23-15-13-21(2,25)19(18(23)16-9-5-4-6-10-16)22-20(24)17-11-7-8-12-17/h4-6,9-10,17-19,25H,3,7-8,11-15H2,1-2H3,(H,22,24)
InChIKeyDWBYMZQIBAZITB-UHFFFAOYSA-N
XLogP3.27
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,3-dimethylbutyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide
CID 162933425
N-(1-benzyl-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl)cyclopentanecarboxamide
CID 162801614
N-[4-hydroxy-4-methyl-2-phenyl-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]cyclopentanecarboxamide
CID 162790477
N-[4-hydroxy-4-methyl-2-phenyl-1-(3-phenylpropyl)piperidin-3-yl]cyclopropanecarboxamide
CID 162907254
N-[1-[(3-fluorophenyl)methyl]-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide
CID 162907607
N-[1-(benzenesulfonyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide
CID 162790730
N-[4-hydroxy-4-methyl-2-phenyl-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 162790397
3-(cyclopropanecarbonylamino)-4-hydroxy-4-methyl-2-phenyl-N-propylpiperidine-1-carboxamide
CID 162790473
N-[4-hydroxy-4-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 162934093
N-[4-hydroxy-4-methyl-1-(2-phenoxyacetyl)-2-phenylpiperidin-3-yl]cyclopentanecarboxamide
CID 162790486
N-[1-(cyclohexanecarbonyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]acetamide
CID 162790470
N-[4-hydroxy-4-methyl-1-(3-phenylpropyl)-2-thiophen-2-ylpiperidin-3-yl]cyclopentanecarboxamide
CID 162799348

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-4-methyl-2-phenyl-1-propylpiperidin-3-yl)cyclopentanecarboxamide?
The IUPAC name of N-(4-hydroxy-4-methyl-2-phenyl-1-propylpiperidin-3-yl)cyclopentanecarboxamide (CID 162968981) is N-(4-hydroxy-4-methyl-2-phenyl-1-propylpiperidin-3-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(4-hydroxy-4-methyl-2-phenyl-1-propylpiperidin-3-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(4-hydroxy-4-methyl-2-phenyl-1-propylpiperidin-3-yl)cyclopentanecarboxamide is CCCN1CCC(C)(O)C(NC(=O)C2CCCC2)C1c1ccccc1.
What is the InChIKey of N-(4-hydroxy-4-methyl-2-phenyl-1-propylpiperidin-3-yl)cyclopentanecarboxamide?
The InChIKey is DWBYMZQIBAZITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-3-14-23-15-13-21(2,25)19(18(23)16-9-5-4-6-10-16)22-20(24)17-11-7-8-12-17/h4-6,9-10,17-19,25H,3,7-8,11-15H2,1-2H3,(H,22,24).
What are the key properties of N-(4-hydroxy-4-methyl-2-phenyl-1-propylpiperidin-3-yl)cyclopentanecarboxamide?
N-(4-hydroxy-4-methyl-2-phenyl-1-propylpiperidin-3-yl)cyclopentanecarboxamide has a molecular weight of 344.50 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-4-methyl-2-phenyl-1-propylpiperidin-3-yl)cyclopentanecarboxamide is sourced from PubChem (CID 162968981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).