3-(3-chloro-1H-1,2,4-triazol-5-yl)-1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one

C17H23ClN6O — CID 70706175

IUPAC3-(3-chloro-1H-1,2,4-triazol-5-yl)-1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
SMILESO=C(CCc1nc(Cl)n[nH]1)N1CCC(c2nccn2CC2CC2)CC1
InChIInChI=1S/C17H23ClN6O/c18-17-20-14(21-22-17)3-4-15(25)23-8-5-13(6-9-23)16-19-7-10-24(16)11-12-1-2-12/h7,10,12-13H,1-6,8-9,11H2,(H,20,21,22)
InChIKeyZBLGEGBKHHUOBW-UHFFFAOYSA-N
MW362.87 g/mol
LogP2.40
Rot. Bonds6

About 3-(3-chloro-1H-1,2,4-triazol-5-yl)-1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one

3-(3-chloro-1H-1,2,4-triazol-5-yl)-1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 70706175) has the molecular formula C17H23ClN6O and a molecular weight of 362.87 g/mol. Its IUPAC name is 3-(3-chloro-1H-1,2,4-triazol-5-yl)-1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-chloro-1H-1,2,4-triazol-5-yl)-1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
PubChem CID70706175
Molecular FormulaC17H23ClN6O
Molecular Weight362.87 g/mol
Exact Mass362.16
IUPAC Name3-(3-chloro-1H-1,2,4-triazol-5-yl)-1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
SMILESO=C(CCc1nc(Cl)n[nH]1)N1CCC(c2nccn2CC2CC2)CC1
InChIInChI=1S/C17H23ClN6O/c18-17-20-14(21-22-17)3-4-15(25)23-8-5-13(6-9-23)16-19-7-10-24(16)11-12-1-2-12/h7,10,12-13H,1-6,8-9,11H2,(H,20,21,22)
InChIKeyZBLGEGBKHHUOBW-UHFFFAOYSA-N
XLogP2.40
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.87
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-chloro-1H-1,2,4-triazol-5-yl)-1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one 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

1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one
CID 72872154
1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70735998
1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]pent-3-en-1-one
CID 91940797
3-(3-chloro-1,2-oxazol-5-yl)-1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 70723901
[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 70728553
3-(4-hydroxyphenyl)-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 72867933
3-(3-chloro-1H-1,2,4-triazol-5-yl)-1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]propan-1-one
CID 56883021
1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 72850820
1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-[4-(dimethylamino)phenyl]propan-1-one
CID 72903798
1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 72922900
1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one
CID 70778833
1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone
CID 97136574

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-1H-1,2,4-triazol-5-yl)-1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(3-chloro-1H-1,2,4-triazol-5-yl)-1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one (CID 70706175) is 3-(3-chloro-1H-1,2,4-triazol-5-yl)-1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-chloro-1H-1,2,4-triazol-5-yl)-1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-chloro-1H-1,2,4-triazol-5-yl)-1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one is O=C(CCc1nc(Cl)n[nH]1)N1CCC(c2nccn2CC2CC2)CC1.
What is the InChIKey of 3-(3-chloro-1H-1,2,4-triazol-5-yl)-1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one?
The InChIKey is ZBLGEGBKHHUOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN6O/c18-17-20-14(21-22-17)3-4-15(25)23-8-5-13(6-9-23)16-19-7-10-24(16)11-12-1-2-12/h7,10,12-13H,1-6,8-9,11H2,(H,20,21,22).
What are the key properties of 3-(3-chloro-1H-1,2,4-triazol-5-yl)-1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one?
3-(3-chloro-1H-1,2,4-triazol-5-yl)-1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 362.87 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-1H-1,2,4-triazol-5-yl)-1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 70706175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).