N-(4-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide

C17H20N4O2 — CID 109250209

IUPACN-(4-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(N3CCCCC3)nc2)cc1
InChIInChI=1S/C17H20N4O2/c1-23-15-7-5-14(6-8-15)20-16(22)13-11-18-17(19-12-13)21-9-3-2-4-10-21/h5-8,11-12H,2-4,9-10H2,1H3,(H,20,22)
InChIKeyQYYCIDGIFZFCDB-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.73
Rot. Bonds4

About N-(4-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide

N-(4-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide (PubChem CID 109250209) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
PubChem CID109250209
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-(4-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(N3CCCCC3)nc2)cc1
InChIInChI=1S/C17H20N4O2/c1-23-15-7-5-14(6-8-15)20-16(22)13-11-18-17(19-12-13)21-9-3-2-4-10-21/h5-8,11-12H,2-4,9-10H2,1H3,(H,20,22)
InChIKeyQYYCIDGIFZFCDB-UHFFFAOYSA-N
XLogP2.73
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959323
1-(4-methoxyphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea
CID 122298472
N-(4-acetylphenyl)-2-(azepan-1-yl)pyrimidine-5-carboxamide
CID 109265010
2-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109265005
2-(azepan-1-yl)-N-(4-tert-butylphenyl)pyrimidine-5-carboxamide
CID 109264979
N-(2,5-dimethoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250215
2-(4-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide
CID 109269659
N-(4-phenylmethoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250239
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109259793
2-(azepan-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-5-carboxamide
CID 109265024
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 113015890
5-(azepan-1-yl)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109196895

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide (CID 109250209) is N-(4-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide is COc1ccc(NC(=O)c2cnc(N3CCCCC3)nc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide?
The InChIKey is QYYCIDGIFZFCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-23-15-7-5-14(6-8-15)20-16(22)13-11-18-17(19-12-13)21-9-3-2-4-10-21/h5-8,11-12H,2-4,9-10H2,1H3,(H,20,22).
What are the key properties of N-(4-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide?
N-(4-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 109250209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).