1-(2-chlorobenzoyl)-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide

C18H22ClN5O2 — CID 99974521

IUPAC1-(2-chlorobenzoyl)-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide
SMILESCc1nc([C@@H](C)NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)n[nH]1
InChIInChI=1S/C18H22ClN5O2/c1-11(16-21-12(2)22-23-16)20-17(25)13-7-9-24(10-8-13)18(26)14-5-3-4-6-15(14)19/h3-6,11,13H,7-10H2,1-2H3,(H,20,25)(H,21,22,23)/t11-/m1/s1
InChIKeyUVZXBSYBRSGOHZ-LLVKDONJSA-N
MW375.86 g/mol
LogP2.50
Rot. Bonds4

About 1-(2-chlorobenzoyl)-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide

1-(2-chlorobenzoyl)-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide (PubChem CID 99974521) has the molecular formula C18H22ClN5O2 and a molecular weight of 375.86 g/mol. Its IUPAC name is 1-(2-chlorobenzoyl)-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorobenzoyl)-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide
PubChem CID99974521
Molecular FormulaC18H22ClN5O2
Molecular Weight375.86 g/mol
Exact Mass375.15
IUPAC Name1-(2-chlorobenzoyl)-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide
SMILESCc1nc([C@@H](C)NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)n[nH]1
InChIInChI=1S/C18H22ClN5O2/c1-11(16-21-12(2)22-23-16)20-17(25)13-7-9-24(10-8-13)18(26)14-5-3-4-6-15(14)19/h3-6,11,13H,7-10H2,1-2H3,(H,20,25)(H,21,22,23)/t11-/m1/s1
InChIKeyUVZXBSYBRSGOHZ-LLVKDONJSA-N
XLogP2.50
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-chlorobenzoyl)-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-(5-chloro-2-methoxybenzoyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]piperidine-4-carboxamide
CID 56518904
(2-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 21025470
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27418677
(2-chlorophenyl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone
CID 90380560
N-[(R)-(4-chlorophenyl)-phenylmethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 41188239
(2-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728656
1-(2-chlorobenzoyl)-N-cyclopentylpiperidine-4-carboxamide
CID 1072799
1-(4-chlorobenzoyl)-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 1326341
2-chloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]propanamide
CID 108564176
1-(2-chlorobenzoyl)-N-cyclohexylpiperidine-4-carboxamide
CID 1072829
N-(4-butan-2-ylphenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide
CID 17223318
1-(4-methylbenzoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004083

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorobenzoyl)-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-chlorobenzoyl)-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide (CID 99974521) is 1-(2-chlorobenzoyl)-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-chlorobenzoyl)-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-chlorobenzoyl)-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide is Cc1nc([C@@H](C)NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)n[nH]1.
What is the InChIKey of 1-(2-chlorobenzoyl)-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is UVZXBSYBRSGOHZ-LLVKDONJSA-N. The full InChI is InChI=1S/C18H22ClN5O2/c1-11(16-21-12(2)22-23-16)20-17(25)13-7-9-24(10-8-13)18(26)14-5-3-4-6-15(14)19/h3-6,11,13H,7-10H2,1-2H3,(H,20,25)(H,21,22,23)/t11-/m1/s1.
What are the key properties of 1-(2-chlorobenzoyl)-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide?
1-(2-chlorobenzoyl)-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 375.86 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorobenzoyl)-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 99974521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).