N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

C21H24N6O — CID 134034995

IUPACN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(NCc1ccc(Cn2ccnc2)cc1)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C21H24N6O/c28-20(19-3-1-11-27(15-19)21-23-8-2-9-24-21)25-13-17-4-6-18(7-5-17)14-26-12-10-22-16-26/h2,4-10,12,16,19H,1,3,11,13-15H2,(H,25,28)
InChIKeyRXWOMSZWPJBCRH-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.25
Rot. Bonds6

About N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 134034995) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID134034995
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC NameN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(NCc1ccc(Cn2ccnc2)cc1)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C21H24N6O/c28-20(19-3-1-11-27(15-19)21-23-8-2-9-24-21)25-13-17-4-6-18(7-5-17)14-26-12-10-22-16-26/h2,4-10,12,16,19H,1,3,11,13-15H2,(H,25,28)
InChIKeyRXWOMSZWPJBCRH-UHFFFAOYSA-N
XLogP2.25
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221424
(3R)-1-(4-fluorophenyl)sulfonyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 35859361
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43917361
(3R)-N-[(4-fluorophenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 95826652
3-amino-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119838606
N-[(1-methylpyrrol-2-yl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 71703277
N-[(3-methoxy-4-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51091928
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55969887
(3S)-N-[(3-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452514
(3R)-N-[(4-chlorophenyl)methyl]-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085941
1-(2,2-dimethylpropanoyl)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 47998553
(4S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 94036187

Frequently Asked Questions

What is the IUPAC name of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 134034995) is N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is O=C(NCc1ccc(Cn2ccnc2)cc1)C1CCCN(c2ncccn2)C1.
What is the InChIKey of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is RXWOMSZWPJBCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c28-20(19-3-1-11-27(15-19)21-23-8-2-9-24-21)25-13-17-4-6-18(7-5-17)14-26-12-10-22-16-26/h2,4-10,12,16,19H,1,3,11,13-15H2,(H,25,28).
What are the key properties of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 134034995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).