N-(1-benzylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide

C17H20N4O2 — CID 136666398

IUPACN-(1-benzylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cc(=O)[nH]cn1
InChIInChI=1S/C17H20N4O2/c22-16-10-15(18-12-19-16)17(23)20-14-6-8-21(9-7-14)11-13-4-2-1-3-5-13/h1-5,10,12,14H,6-9,11H2,(H,20,23)(H,18,19,22)
InChIKeyPXDHWRZNMGUVEH-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.16
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide

N-(1-benzylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 136666398) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID136666398
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-(1-benzylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cc(=O)[nH]cn1
InChIInChI=1S/C17H20N4O2/c22-16-10-15(18-12-19-16)17(23)20-14-6-8-21(9-7-14)11-13-4-2-1-3-5-13/h1-5,10,12,14H,6-9,11H2,(H,20,23)(H,18,19,22)
InChIKeyPXDHWRZNMGUVEH-UHFFFAOYSA-N
XLogP1.16
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-4-yl)-6-methylpyridine-2-carboxamide
CID 31926879
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-chloropyridine-2-carboxamide
CID 9488581
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
N-(1-benzylpiperidin-4-yl)-6-phenylpyridine-2-carboxamide
CID 117082142
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
5-(4-benzylpiperazine-1-carbonyl)-N-(1-benzylpiperidin-4-yl)pyridine-2-carboxamide
CID 56650667
N-(1-benzylpiperidin-4-yl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 127254911
2-[(1-benzylpiperidin-4-yl)carbamoyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 122523723
N-(1-benzylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692501
N-(1-benzylpiperidin-4-yl)-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 56701761
N-(1-benzylpiperidin-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 51254704
N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]pyrimidine-4-carboxamide
CID 175650109

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide (CID 136666398) is N-(1-benzylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(=O)[nH]cn1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is PXDHWRZNMGUVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-16-10-15(18-12-19-16)17(23)20-14-6-8-21(9-7-14)11-13-4-2-1-3-5-13/h1-5,10,12,14H,6-9,11H2,(H,20,23)(H,18,19,22).
What are the key properties of N-(1-benzylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
N-(1-benzylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136666398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).