4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide

C25H26N4O3 — CID 146689611

IUPAC4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide
SMILESO=C(CO)c1cnc(CC2(c3ccccc3)CCN(C(=O)Nc3ccccc3)CC2)nc1
InChIInChI=1S/C25H26N4O3/c30-18-22(31)19-16-26-23(27-17-19)15-25(20-7-3-1-4-8-20)11-13-29(14-12-25)24(32)28-21-9-5-2-6-10-21/h1-10,16-17,30H,11-15,18H2,(H,28,32)
InChIKeyQFNOWYACLUYDJG-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.46
Rot. Bonds6

About 4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide

4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide (PubChem CID 146689611) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide
PubChem CID146689611
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide
SMILESO=C(CO)c1cnc(CC2(c3ccccc3)CCN(C(=O)Nc3ccccc3)CC2)nc1
InChIInChI=1S/C25H26N4O3/c30-18-22(31)19-16-26-23(27-17-19)15-25(20-7-3-1-4-8-20)11-13-29(14-12-25)24(32)28-21-9-5-2-6-10-21/h1-10,16-17,30H,11-15,18H2,(H,28,32)
InChIKeyQFNOWYACLUYDJG-UHFFFAOYSA-N
XLogP3.46
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylic acid
CID 159705164
1-[2-[[1-(3-fluorophenyl)cyclohexyl]methyl]pyrimidin-5-yl]propan-1-one;2-hydroxy-1-[2-[(1-phenylcyclohexyl)methyl]pyrimidin-5-yl]ethanone
CID 159930346
4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467
ethyl 2-[(1-phenylcyclopropyl)methyl]pyrimidine-5-carboxylate
CID 159864160
4-[2-(diethylamino)ethyl]-4-phenyl-N-pyrimidin-2-ylpiperidine-1-carboxamide
CID 57149348
4-morpholin-4-yl-N,4-diphenylpiperidine-1-carboxamide
CID 110409254
1-N-phenyl-3-N-[(1-phenylcyclobutyl)methyl]piperidine-1,3-dicarboxamide
CID 24614563
ethyl 2-[[1-[(3-fluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxylate
CID 118016643
ethane;ethyl 2-[[1-[(3-fluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxylate
CID 144829105
N-phenyl-4-[2-(4-propanoylphenoxy)acetyl]piperazine-1-carboxamide
CID 38905055
4-(1-methyl-4-phenylpiperidin-4-yl)-N-phenylpiperazine-1-carboxamide
CID 110637988
4-(5-methyl-2-pyridinyl)-N-phenylpiperazine-1-carboxamide
CID 59676624

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide?
The IUPAC name of 4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide (CID 146689611) is 4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide is O=C(CO)c1cnc(CC2(c3ccccc3)CCN(C(=O)Nc3ccccc3)CC2)nc1.
What is the InChIKey of 4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide?
The InChIKey is QFNOWYACLUYDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c30-18-22(31)19-16-26-23(27-17-19)15-25(20-7-3-1-4-8-20)11-13-29(14-12-25)24(32)28-21-9-5-2-6-10-21/h1-10,16-17,30H,11-15,18H2,(H,28,32).
What are the key properties of 4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide?
4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide is sourced from PubChem (CID 146689611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).