N-(4-chlorophenyl)-1-(1-cyclopentylbenzotriazole-5-carbonyl)piperidine-4-carboxamide

C24H26ClN5O2 — CID 20932899

IUPACN-(4-chlorophenyl)-1-(1-cyclopentylbenzotriazole-5-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CCN(C(=O)c2ccc3c(c2)nnn3C2CCCC2)CC1
InChIInChI=1S/C24H26ClN5O2/c25-18-6-8-19(9-7-18)26-23(31)16-11-13-29(14-12-16)24(32)17-5-10-22-21(15-17)27-28-30(22)20-3-1-2-4-20/h5-10,15-16,20H,1-4,11-14H2,(H,26,31)
InChIKeyKSSPMBIFDIRTBG-UHFFFAOYSA-N
MW451.96 g/mol
LogP4.69
Rot. Bonds4

About N-(4-chlorophenyl)-1-(1-cyclopentylbenzotriazole-5-carbonyl)piperidine-4-carboxamide

N-(4-chlorophenyl)-1-(1-cyclopentylbenzotriazole-5-carbonyl)piperidine-4-carboxamide (PubChem CID 20932899) has the molecular formula C24H26ClN5O2 and a molecular weight of 451.96 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(1-cyclopentylbenzotriazole-5-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(1-cyclopentylbenzotriazole-5-carbonyl)piperidine-4-carboxamide
PubChem CID20932899
Molecular FormulaC24H26ClN5O2
Molecular Weight451.96 g/mol
Exact Mass451.18
IUPAC NameN-(4-chlorophenyl)-1-(1-cyclopentylbenzotriazole-5-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CCN(C(=O)c2ccc3c(c2)nnn3C2CCCC2)CC1
InChIInChI=1S/C24H26ClN5O2/c25-18-6-8-19(9-7-18)26-23(31)16-11-13-29(14-12-16)24(32)17-5-10-22-21(15-17)27-28-30(22)20-3-1-2-4-20/h5-10,15-16,20H,1-4,11-14H2,(H,26,31)
InChIKeyKSSPMBIFDIRTBG-UHFFFAOYSA-N
XLogP4.69
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.96
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylbenzotriazole-5-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 20932872
1-(1-ethylbenzotriazole-5-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 20932878
1-(3-chlorobenzoyl)-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 113007193
N-(4-chlorophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 126071800
1-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 7961983
1-cyclohexylbenzotriazole-5-carboxylate
CID 7013530
ethyl 4-[(1-cyclopentylbenzotriazole-5-carbonyl)amino]benzoate
CID 53051674
1-(2H-benzotriazole-5-carbonyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 99816380
1-cyclopropylbenzotriazole-5-carboxylic acid
CID 10465474
4-[(4-chlorophenyl)carbamoyl]piperidine-1-carboxylic acid
CID 66651371
N-(2-hydroxyphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide
CID 136516099
1-(4-chlorobenzoyl)-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 9411138

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(1-cyclopentylbenzotriazole-5-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-(1-cyclopentylbenzotriazole-5-carbonyl)piperidine-4-carboxamide (CID 20932899) is N-(4-chlorophenyl)-1-(1-cyclopentylbenzotriazole-5-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-(1-cyclopentylbenzotriazole-5-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-(1-cyclopentylbenzotriazole-5-carbonyl)piperidine-4-carboxamide is O=C(Nc1ccc(Cl)cc1)C1CCN(C(=O)c2ccc3c(c2)nnn3C2CCCC2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-1-(1-cyclopentylbenzotriazole-5-carbonyl)piperidine-4-carboxamide?
The InChIKey is KSSPMBIFDIRTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O2/c25-18-6-8-19(9-7-18)26-23(31)16-11-13-29(14-12-16)24(32)17-5-10-22-21(15-17)27-28-30(22)20-3-1-2-4-20/h5-10,15-16,20H,1-4,11-14H2,(H,26,31).
What are the key properties of N-(4-chlorophenyl)-1-(1-cyclopentylbenzotriazole-5-carbonyl)piperidine-4-carboxamide?
N-(4-chlorophenyl)-1-(1-cyclopentylbenzotriazole-5-carbonyl)piperidine-4-carboxamide has a molecular weight of 451.96 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(1-cyclopentylbenzotriazole-5-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 20932899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).