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

C21H26N4O2 — CID 162790397

IUPACN-[4-hydroxy-4-methyl-2-phenyl-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide
SMILESCC1(O)CCN(Cc2cncnc2)C(c2ccccc2)C1NC(=O)C1CC1
InChIInChI=1S/C21H26N4O2/c1-21(27)9-10-25(13-15-11-22-14-23-12-15)18(16-5-3-2-4-6-16)19(21)24-20(26)17-7-8-17/h2-6,11-12,14,17-19,27H,7-10,13H2,1H3,(H,24,26)
InChIKeyAOSZFNZGINDLCY-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.07
Rot. Bonds5

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

N-[4-hydroxy-4-methyl-2-phenyl-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide (PubChem CID 162790397) has the molecular formula C21H26N4O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[4-hydroxy-4-methyl-2-phenyl-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-hydroxy-4-methyl-2-phenyl-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide
PubChem CID162790397
Molecular FormulaC21H26N4O2
Molecular Weight366.46 g/mol
Exact Mass366.21
IUPAC NameN-[4-hydroxy-4-methyl-2-phenyl-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide
SMILESCC1(O)CCN(Cc2cncnc2)C(c2ccccc2)C1NC(=O)C1CC1
InChIInChI=1S/C21H26N4O2/c1-21(27)9-10-25(13-15-11-22-14-23-12-15)18(16-5-3-2-4-6-16)19(21)24-20(26)17-7-8-17/h2-6,11-12,14,17-19,27H,7-10,13H2,1H3,(H,24,26)
InChIKeyAOSZFNZGINDLCY-UHFFFAOYSA-N
XLogP2.07
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.07
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]cyclopentanecarboxamide
CID 162790477
N-[4-hydroxy-4-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 162934093
N-(1-benzyl-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl)cyclopentanecarboxamide
CID 162801614
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-[4-hydroxy-4-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 162790633
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
3-(cyclopropanecarbonylamino)-4-hydroxy-4-methyl-2-phenyl-N-propylpiperidine-1-carboxamide
CID 162790473
N-[1-(benzenesulfonyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide
CID 162790730
N-[4-hydroxy-4-methyl-2-phenyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]acetamide
CID 162812410
N-[(2S,3S,4R)-4-hydroxy-4-methyl-1-[(1-methylimidazol-2-yl)methyl]-2-phenylpiperidin-3-yl]acetamide
CID 125417085

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-4-methyl-2-phenyl-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-hydroxy-4-methyl-2-phenyl-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide (CID 162790397) is N-[4-hydroxy-4-methyl-2-phenyl-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-hydroxy-4-methyl-2-phenyl-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-hydroxy-4-methyl-2-phenyl-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide is CC1(O)CCN(Cc2cncnc2)C(c2ccccc2)C1NC(=O)C1CC1.
What is the InChIKey of N-[4-hydroxy-4-methyl-2-phenyl-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide?
The InChIKey is AOSZFNZGINDLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-21(27)9-10-25(13-15-11-22-14-23-12-15)18(16-5-3-2-4-6-16)19(21)24-20(26)17-7-8-17/h2-6,11-12,14,17-19,27H,7-10,13H2,1H3,(H,24,26).
What are the key properties of N-[4-hydroxy-4-methyl-2-phenyl-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide?
N-[4-hydroxy-4-methyl-2-phenyl-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide has a molecular weight of 366.46 g/mol, XLogP of 2.07, 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]cyclopropanecarboxamide is sourced from PubChem (CID 162790397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).