N-[1-(benzenesulfonyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide

C24H30N2O4S — CID 162790730

IUPACN-[1-(benzenesulfonyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide
SMILESCC1(O)CCN(S(=O)(=O)c2ccccc2)C(c2ccccc2)C1NC(=O)C1CCCC1
InChIInChI=1S/C24H30N2O4S/c1-24(28)16-17-26(31(29,30)20-14-6-3-7-15-20)21(18-10-4-2-5-11-18)22(24)25-23(27)19-12-8-9-13-19/h2-7,10-11,14-15,19,21-22,28H,8-9,12-13,16-17H2,1H3,(H,25,27)
InChIKeyNGYXNSBPTHZHBA-UHFFFAOYSA-N
MW442.58 g/mol
LogP3.25
Rot. Bonds5

About N-[1-(benzenesulfonyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide

N-[1-(benzenesulfonyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide (PubChem CID 162790730) has the molecular formula C24H30N2O4S and a molecular weight of 442.58 g/mol. Its IUPAC name is N-[1-(benzenesulfonyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-(benzenesulfonyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide
PubChem CID162790730
Molecular FormulaC24H30N2O4S
Molecular Weight442.58 g/mol
Exact Mass442.19
IUPAC NameN-[1-(benzenesulfonyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide
SMILESCC1(O)CCN(S(=O)(=O)c2ccccc2)C(c2ccccc2)C1NC(=O)C1CCCC1
InChIInChI=1S/C24H30N2O4S/c1-24(28)16-17-26(31(29,30)20-14-6-3-7-15-20)21(18-10-4-2-5-11-18)22(24)25-23(27)19-12-8-9-13-19/h2-7,10-11,14-15,19,21-22,28H,8-9,12-13,16-17H2,1H3,(H,25,27)
InChIKeyNGYXNSBPTHZHBA-UHFFFAOYSA-N
XLogP3.25
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.58
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxy-4-methyl-2-phenyl-1-propylpiperidin-3-yl)cyclopentanecarboxamide
CID 162968981
N-[1-(3,3-dimethylbutyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide
CID 162933425
N-[1-(cyclohexanecarbonyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]acetamide
CID 162790470
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
(3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide
CID 39898448
(1R,4aS,8aR)-2-(benzenesulfonyl)-4a-chloro-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinoline
CID 7273353
1-(benzenesulfonyl)-N-cyclopentylpiperidine-2-carboxamide
CID 51159553
N-[4-hydroxy-4-methyl-1-(3-phenylpropyl)-2-thiophen-2-ylpiperidin-3-yl]cyclopentanecarboxamide
CID 162799348
1-(benzenesulfonyl)-N-(1-hydroxy-2-adamantyl)piperidine-4-carboxamide
CID 24956832
(4R,5R)-4-(cyclopropanecarbonylamino)-3-fluoro-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylic acid
CID 154983209
1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide
CID 4320284

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzenesulfonyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[1-(benzenesulfonyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide (CID 162790730) is N-[1-(benzenesulfonyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-(benzenesulfonyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-(benzenesulfonyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide is CC1(O)CCN(S(=O)(=O)c2ccccc2)C(c2ccccc2)C1NC(=O)C1CCCC1.
What is the InChIKey of N-[1-(benzenesulfonyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide?
The InChIKey is NGYXNSBPTHZHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4S/c1-24(28)16-17-26(31(29,30)20-14-6-3-7-15-20)21(18-10-4-2-5-11-18)22(24)25-23(27)19-12-8-9-13-19/h2-7,10-11,14-15,19,21-22,28H,8-9,12-13,16-17H2,1H3,(H,25,27).
What are the key properties of N-[1-(benzenesulfonyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide?
N-[1-(benzenesulfonyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide has a molecular weight of 442.58 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzenesulfonyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 162790730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).