(4-chlorophenyl)-[4-(3-ethyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone

C16H19ClN4O — CID 91914710

IUPAC(4-chlorophenyl)-[4-(3-ethyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone
SMILESCCc1nncn1C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H19ClN4O/c1-2-15-19-18-11-21(15)14-7-9-20(10-8-14)16(22)12-3-5-13(17)6-4-12/h3-6,11,14H,2,7-10H2,1H3
InChIKeyBDJBJLDQVVPRNN-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.97
Rot. Bonds3

About (4-chlorophenyl)-[4-(3-ethyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone

(4-chlorophenyl)-[4-(3-ethyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone (PubChem CID 91914710) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(3-ethyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(3-ethyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone
PubChem CID91914710
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name(4-chlorophenyl)-[4-(3-ethyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone
SMILESCCc1nncn1C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H19ClN4O/c1-2-15-19-18-11-21(15)14-7-9-20(10-8-14)16(22)12-3-5-13(17)6-4-12/h3-6,11,14H,2,7-10H2,1H3
InChIKeyBDJBJLDQVVPRNN-UHFFFAOYSA-N
XLogP2.97
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-ethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 110875671
1-(4-chlorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine
CID 91914700
(3,4-diethoxyphenyl)-[3-(3-ethyl-1,2,4-triazol-4-yl)pyrrolidin-1-yl]methanone
CID 71837182
(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728657
(4-chlorophenyl)-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492756
1-(4-chlorobenzoyl)-N,N-diethylpiperidine-4-carboxamide
CID 17119192
ethyl 4-[3-(4-chlorophenyl)-1,2,4-triazol-4-yl]piperidine-1-carboxylate
CID 118167079
(4-chlorophenyl)-(4-imidazol-1-ylpiperidin-1-yl)methanone
CID 47089047
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(4-chlorophenyl)methanone
CID 107108689
[1-(4-chlorobenzoyl)piperidin-4-yl]azanium
CID 7183143
[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethylphenyl)methanone
CID 4668115
(4-chlorophenyl)-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]methanone
CID 67168197

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(3-ethyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(3-ethyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone (CID 91914710) is (4-chlorophenyl)-[4-(3-ethyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(3-ethyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(3-ethyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone is CCc1nncn1C1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of (4-chlorophenyl)-[4-(3-ethyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
The InChIKey is BDJBJLDQVVPRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-2-15-19-18-11-21(15)14-7-9-20(10-8-14)16(22)12-3-5-13(17)6-4-12/h3-6,11,14H,2,7-10H2,1H3.
What are the key properties of (4-chlorophenyl)-[4-(3-ethyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
(4-chlorophenyl)-[4-(3-ethyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone has a molecular weight of 318.81 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(3-ethyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 91914710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).