[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone

C21H24N6O — CID 97278039

IUPAC[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone
SMILESO=C(c1ccccc1-n1cncn1)N1CCC[C@H](c2nccn2CC2CC2)C1
InChIInChI=1S/C21H24N6O/c28-21(18-5-1-2-6-19(18)27-15-22-14-24-27)26-10-3-4-17(13-26)20-23-9-11-25(20)12-16-7-8-16/h1-2,5-6,9,11,14-17H,3-4,7-8,10,12-13H2/t17-/m0/s1
InChIKeyYYHXJTUVJHMICU-KRWDZBQOSA-N
MW376.46 g/mol
LogP2.89
Rot. Bonds5

About [(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone

[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone (PubChem CID 97278039) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is [(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone
PubChem CID97278039
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone
SMILESO=C(c1ccccc1-n1cncn1)N1CCC[C@H](c2nccn2CC2CC2)C1
InChIInChI=1S/C21H24N6O/c28-21(18-5-1-2-6-19(18)27-15-22-14-24-27)26-10-3-4-17(13-26)20-23-9-11-25(20)12-16-7-8-16/h1-2,5-6,9,11,14-17H,3-4,7-8,10,12-13H2/t17-/m0/s1
InChIKeyYYHXJTUVJHMICU-KRWDZBQOSA-N
XLogP2.89
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[1-(2-pyrrolidin-1-ylbenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 72914128
[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-quinolin-3-ylmethanone
CID 70781771
[(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 97193355
[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1H-indol-2-yl)methanone
CID 96580791
[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 70748304
[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone
CID 97284622
[(3S)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone
CID 96577246
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(2-fluoro-4-methylphenyl)methanone
CID 72903991
[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 97282581
1-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 97283837
(3-chloro-4-methylphenyl)-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 96577665
1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one
CID 70778833

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone?
The IUPAC name of [(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone (CID 97278039) is [(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone.
What is the SMILES notation for [(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone?
The canonical SMILES for [(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone is O=C(c1ccccc1-n1cncn1)N1CCC[C@H](c2nccn2CC2CC2)C1.
What is the InChIKey of [(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone?
The InChIKey is YYHXJTUVJHMICU-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H24N6O/c28-21(18-5-1-2-6-19(18)27-15-22-14-24-27)26-10-3-4-17(13-26)20-23-9-11-25(20)12-16-7-8-16/h1-2,5-6,9,11,14-17H,3-4,7-8,10,12-13H2/t17-/m0/s1.
What are the key properties of [(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone?
[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone has a molecular weight of 376.46 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone is sourced from PubChem (CID 97278039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).