1-(5-chloro-2-methoxybenzoyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]piperidine-4-carboxamide

C24H26ClN5O3 — CID 56518904

IUPAC1-(5-chloro-2-methoxybenzoyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]piperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC(C(=O)NC(c2ccccc2)c2n[nH]c(C)n2)CC1
InChIInChI=1S/C24H26ClN5O3/c1-15-26-22(29-28-15)21(16-6-4-3-5-7-16)27-23(31)17-10-12-30(13-11-17)24(32)19-14-18(25)8-9-20(19)33-2/h3-9,14,17,21H,10-13H2,1-2H3,(H,27,31)(H,26,28,29)
InChIKeyRFERATPVTIXGIT-UHFFFAOYSA-N
MW467.96 g/mol
LogP3.53
Rot. Bonds6

About 1-(5-chloro-2-methoxybenzoyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]piperidine-4-carboxamide

1-(5-chloro-2-methoxybenzoyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]piperidine-4-carboxamide (PubChem CID 56518904) has the molecular formula C24H26ClN5O3 and a molecular weight of 467.96 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxybenzoyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-methoxybenzoyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]piperidine-4-carboxamide
PubChem CID56518904
Molecular FormulaC24H26ClN5O3
Molecular Weight467.96 g/mol
Exact Mass467.17
IUPAC Name1-(5-chloro-2-methoxybenzoyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]piperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC(C(=O)NC(c2ccccc2)c2n[nH]c(C)n2)CC1
InChIInChI=1S/C24H26ClN5O3/c1-15-26-22(29-28-15)21(16-6-4-3-5-7-16)27-23(31)17-10-12-30(13-11-17)24(32)19-14-18(25)8-9-20(19)33-2/h3-9,14,17,21H,10-13H2,1-2H3,(H,27,31)(H,26,28,29)
InChIKeyRFERATPVTIXGIT-UHFFFAOYSA-N
XLogP3.53
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.96
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(5-chloro-2-methoxybenzoyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-(2-chlorobenzoyl)-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide
CID 99974521
N-[(R)-(4-chlorophenyl)-phenylmethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 41188239
1-(2-methoxybenzoyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
CID 126473277
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
1-(2,2-dimethylpropanoyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]piperidine-3-carboxamide
CID 56520429
N-(3-anilinopropyl)-1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 56586390
1-(5-chloro-2-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55151545
1-(5-chloro-2-methoxybenzoyl)-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 55788299
1-(5-chloro-2-methoxybenzoyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide
CID 47865084
N-[(4-chlorophenyl)-phenylmethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 55376976
N-(1-benzylpiperidin-3-yl)-1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 55653629
[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-cyclobutylmethanone
CID 56511112

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxybenzoyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-2-methoxybenzoyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]piperidine-4-carboxamide (CID 56518904) is 1-(5-chloro-2-methoxybenzoyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-methoxybenzoyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-2-methoxybenzoyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]piperidine-4-carboxamide is COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)NC(c2ccccc2)c2n[nH]c(C)n2)CC1.
What is the InChIKey of 1-(5-chloro-2-methoxybenzoyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]piperidine-4-carboxamide?
The InChIKey is RFERATPVTIXGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O3/c1-15-26-22(29-28-15)21(16-6-4-3-5-7-16)27-23(31)17-10-12-30(13-11-17)24(32)19-14-18(25)8-9-20(19)33-2/h3-9,14,17,21H,10-13H2,1-2H3,(H,27,31)(H,26,28,29).
What are the key properties of 1-(5-chloro-2-methoxybenzoyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]piperidine-4-carboxamide?
1-(5-chloro-2-methoxybenzoyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]piperidine-4-carboxamide has a molecular weight of 467.96 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxybenzoyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]piperidine-4-carboxamide is sourced from PubChem (CID 56518904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).