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

C18H22N4O — CID 3223112

IUPACN-(4-ethylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCCc1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C18H22N4O/c1-2-14-4-6-16(7-5-14)21-17(23)15-8-12-22(13-9-15)18-19-10-3-11-20-18/h3-7,10-11,15H,2,8-9,12-13H2,1H3,(H,21,23)
InChIKeyQZXXQMJLLGKNBA-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.89
Rot. Bonds4

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

N-(4-ethylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 3223112) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(4-ethylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID3223112
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-(4-ethylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCCc1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C18H22N4O/c1-2-14-4-6-16(7-5-14)21-17(23)15-8-12-22(13-9-15)18-19-10-3-11-20-18/h3-7,10-11,15H,2,8-9,12-13H2,1H3,(H,21,23)
InChIKeyQZXXQMJLLGKNBA-UHFFFAOYSA-N
XLogP2.89
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[4-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]phenyl]carbamate
CID 171678844
N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223122
N-(4-ethylphenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109139249
N-(4-ethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide
CID 46395494
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 55758856
N-(1-ethylpyrazol-4-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 133269972
N-[4-methyl-3-(trifluoromethyl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 11537864
N-[4-(4-methylsulfonylphenoxy)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75419257
N-(4-ethylphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53078051
N-propyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3224206
N-(4-methylphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53107320
N-[4-[(1R)-1-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]cyclopropanecarboxamide
CID 51590883

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide (CID 3223112) is N-(4-ethylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide is CCc1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is QZXXQMJLLGKNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-2-14-4-6-16(7-5-14)21-17(23)15-8-12-22(13-9-15)18-19-10-3-11-20-18/h3-7,10-11,15H,2,8-9,12-13H2,1H3,(H,21,23).
What are the key properties of N-(4-ethylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
N-(4-ethylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 3223112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).