N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide

C17H20N4O2 — CID 3223122

IUPACN-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C17H20N4O2/c1-23-15-5-3-14(4-6-15)20-16(22)13-7-11-21(12-8-13)17-18-9-2-10-19-17/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,20,22)
InChIKeyKGAZAXSDKNVUGL-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.34
Rot. Bonds4

About N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide

N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 3223122) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID3223122
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C17H20N4O2/c1-23-15-5-3-14(4-6-15)20-16(22)13-7-11-21(12-8-13)17-18-9-2-10-19-17/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,20,22)
InChIKeyKGAZAXSDKNVUGL-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53107326
N-[4-(4-methylsulfonylphenoxy)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75419257
N-(4-ethylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223112
N-(2,5-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 653950
ethyl N-[4-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]phenyl]carbamate
CID 171678844
N-(2,6-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223156
1-(3-chlorophenyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 17152909
N-(4-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6465380
N-[4-methyl-3-(trifluoromethyl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 11537864
1-(1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43815632
1-(cyclobutanecarbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 113007524
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 55758856

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide (CID 3223122) is N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is KGAZAXSDKNVUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-23-15-5-3-14(4-6-15)20-16(22)13-7-11-21(12-8-13)17-18-9-2-10-19-17/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,20,22).
What are the key properties of N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 3223122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).