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

C25H31FN2O2 — CID 162907607

IUPACN-[1-[(3-fluorophenyl)methyl]-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide
SMILESCC1(O)CCN(Cc2cccc(F)c2)C(c2ccccc2)C1NC(=O)C1CCCC1
InChIInChI=1S/C25H31FN2O2/c1-25(30)14-15-28(17-18-8-7-13-21(26)16-18)22(19-9-3-2-4-10-19)23(25)27-24(29)20-11-5-6-12-20/h2-4,7-10,13,16,20,22-23,30H,5-6,11-12,14-15,17H2,1H3,(H,27,29)
InChIKeyRZTSCDOLXJHZSD-UHFFFAOYSA-N
MW410.53 g/mol
LogP4.20
Rot. Bonds5

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

N-[1-[(3-fluorophenyl)methyl]-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide (PubChem CID 162907607) has the molecular formula C25H31FN2O2 and a molecular weight of 410.53 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide
PubChem CID162907607
Molecular FormulaC25H31FN2O2
Molecular Weight410.53 g/mol
Exact Mass410.24
IUPAC NameN-[1-[(3-fluorophenyl)methyl]-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide
SMILESCC1(O)CCN(Cc2cccc(F)c2)C(c2ccccc2)C1NC(=O)C1CCCC1
InChIInChI=1S/C25H31FN2O2/c1-25(30)14-15-28(17-18-8-7-13-21(26)16-18)22(19-9-3-2-4-10-19)23(25)27-24(29)20-11-5-6-12-20/h2-4,7-10,13,16,20,22-23,30H,5-6,11-12,14-15,17H2,1H3,(H,27,29)
InChIKeyRZTSCDOLXJHZSD-UHFFFAOYSA-N
XLogP4.20
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-propylpiperidin-3-yl)cyclopentanecarboxamide
CID 162968981
N-[4-hydroxy-4-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 162934093
N-[4-hydroxy-4-methyl-2-phenyl-1-(3-phenylpropyl)piperidin-3-yl]cyclopropanecarboxamide
CID 162907254
N-[1-(benzenesulfonyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide
CID 162790730
N-[4-hydroxy-1-[(3-methoxyphenyl)methyl]-4-methyl-2-phenylpiperidin-3-yl]-2-methoxyacetamide
CID 162790407
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
3-(cyclopropanecarbonylamino)-4-hydroxy-4-methyl-2-phenyl-N-propylpiperidine-1-carboxamide
CID 162790473
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cycloheptanecarboxamide
CID 45189442
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cyclopentanecarboxamide
CID 45202640

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide (CID 162907607) is N-[1-[(3-fluorophenyl)methyl]-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide is CC1(O)CCN(Cc2cccc(F)c2)C(c2ccccc2)C1NC(=O)C1CCCC1.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide?
The InChIKey is RZTSCDOLXJHZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O2/c1-25(30)14-15-28(17-18-8-7-13-21(26)16-18)22(19-9-3-2-4-10-19)23(25)27-24(29)20-11-5-6-12-20/h2-4,7-10,13,16,20,22-23,30H,5-6,11-12,14-15,17H2,1H3,(H,27,29).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide?
N-[1-[(3-fluorophenyl)methyl]-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide has a molecular weight of 410.53 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 162907607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).