(3R)-N-butyl-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide

C19H27N5O — CID 97275108

IUPAC(3R)-N-butyl-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
SMILESCCCCNC(=O)N1CCC[C@@H](c2nccn2Cc2ccncc2)C1
InChIInChI=1S/C19H27N5O/c1-2-3-8-22-19(25)24-12-4-5-17(15-24)18-21-11-13-23(18)14-16-6-9-20-10-7-16/h6-7,9-11,13,17H,2-5,8,12,14-15H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyAJNJUGPSXORLNQ-QGZVFWFLSA-N
MW341.46 g/mol
LogP3.02
Rot. Bonds6

About (3R)-N-butyl-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide

(3R)-N-butyl-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide (PubChem CID 97275108) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is (3R)-N-butyl-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-butyl-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
PubChem CID97275108
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name(3R)-N-butyl-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
SMILESCCCCNC(=O)N1CCC[C@@H](c2nccn2Cc2ccncc2)C1
InChIInChI=1S/C19H27N5O/c1-2-3-8-22-19(25)24-12-4-5-17(15-24)18-21-11-13-23(18)14-16-6-9-20-10-7-16/h6-7,9-11,13,17H,2-5,8,12,14-15H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyAJNJUGPSXORLNQ-QGZVFWFLSA-N
XLogP3.02
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-(3,4-dimethylphenyl)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 97268216
cyclopentyl-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97127492
[2-oxo-2-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]urea
CID 97147491
[2-oxo-2-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]urea
CID 97147492
(5-ethylthiophen-2-yl)-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72859135
[4-(hydroxymethyl)phenyl]-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97280653
3-cyclopentyl-1-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 97282759
2-(4-methylpyrazol-1-yl)-1-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97278762
(5-methyl-1,2-oxazol-3-yl)-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97281406
2-(5-methylpyrazol-1-yl)-1-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97121194
(3-fluoro-4-pyridinyl)-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72927120
[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 72869064

Frequently Asked Questions

What is the IUPAC name of (3R)-N-butyl-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of (3R)-N-butyl-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide (CID 97275108) is (3R)-N-butyl-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-butyl-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-butyl-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide is CCCCNC(=O)N1CCC[C@@H](c2nccn2Cc2ccncc2)C1.
What is the InChIKey of (3R)-N-butyl-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide?
The InChIKey is AJNJUGPSXORLNQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27N5O/c1-2-3-8-22-19(25)24-12-4-5-17(15-24)18-21-11-13-23(18)14-16-6-9-20-10-7-16/h6-7,9-11,13,17H,2-5,8,12,14-15H2,1H3,(H,22,25)/t17-/m1/s1.
What are the key properties of (3R)-N-butyl-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide?
(3R)-N-butyl-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-butyl-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 97275108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).