N-[4-hydroxy-4-methyl-2-phenyl-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]cyclopentanecarboxamide

C23H30N4O2 — CID 162790477

IUPACN-[4-hydroxy-4-methyl-2-phenyl-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]cyclopentanecarboxamide
SMILESCC1(O)CCN(Cc2cncnc2)C(c2ccccc2)C1NC(=O)C1CCCC1
InChIInChI=1S/C23H30N4O2/c1-23(29)11-12-27(15-17-13-24-16-25-14-17)20(18-7-3-2-4-8-18)21(23)26-22(28)19-9-5-6-10-19/h2-4,7-8,13-14,16,19-21,29H,5-6,9-12,15H2,1H3,(H,26,28)
InChIKeyVQRMGEKHQDZJGS-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.85
Rot. Bonds5

About N-[4-hydroxy-4-methyl-2-phenyl-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]cyclopentanecarboxamide

N-[4-hydroxy-4-methyl-2-phenyl-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]cyclopentanecarboxamide (PubChem CID 162790477) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[4-hydroxy-4-methyl-2-phenyl-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-hydroxy-4-methyl-2-phenyl-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]cyclopentanecarboxamide
PubChem CID162790477
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-[4-hydroxy-4-methyl-2-phenyl-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]cyclopentanecarboxamide
SMILESCC1(O)CCN(Cc2cncnc2)C(c2ccccc2)C1NC(=O)C1CCCC1
InChIInChI=1S/C23H30N4O2/c1-23(29)11-12-27(15-17-13-24-16-25-14-17)20(18-7-3-2-4-8-18)21(23)26-22(28)19-9-5-6-10-19/h2-4,7-8,13-14,16,19-21,29H,5-6,9-12,15H2,1H3,(H,26,28)
InChIKeyVQRMGEKHQDZJGS-UHFFFAOYSA-N
XLogP2.85
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-hydroxy-4-methyl-2-phenyl-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 162790397
N-(1-benzyl-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl)cyclopentanecarboxamide
CID 162801614
N-[4-hydroxy-4-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 162934093
N-[1-[(3-fluorophenyl)methyl]-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide
CID 162907607
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-[4-hydroxy-4-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 162790633
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-[1-(cyclohexanecarbonyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]acetamide
CID 162790470
N-[4-hydroxy-4-methyl-1-(2-phenoxyacetyl)-2-phenylpiperidin-3-yl]cyclopentanecarboxamide
CID 162790486
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-(pyrimidin-5-ylmethyl)piperidin-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[4-hydroxy-4-methyl-2-phenyl-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]cyclopentanecarboxamide (CID 162790477) is N-[4-hydroxy-4-methyl-2-phenyl-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-hydroxy-4-methyl-2-phenyl-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-hydroxy-4-methyl-2-phenyl-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]cyclopentanecarboxamide is CC1(O)CCN(Cc2cncnc2)C(c2ccccc2)C1NC(=O)C1CCCC1.
What is the InChIKey of N-[4-hydroxy-4-methyl-2-phenyl-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]cyclopentanecarboxamide?
The InChIKey is VQRMGEKHQDZJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-23(29)11-12-27(15-17-13-24-16-25-14-17)20(18-7-3-2-4-8-18)21(23)26-22(28)19-9-5-6-10-19/h2-4,7-8,13-14,16,19-21,29H,5-6,9-12,15H2,1H3,(H,26,28).
What are the key properties of N-[4-hydroxy-4-methyl-2-phenyl-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]cyclopentanecarboxamide?
N-[4-hydroxy-4-methyl-2-phenyl-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]cyclopentanecarboxamide has a molecular weight of 394.52 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-4-methyl-2-phenyl-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 162790477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).