N-cyclopentyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide

C15H25N5O — CID 110203887

IUPACN-cyclopentyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
SMILESCn1cnnc1CC1CCCN(C(=O)NC2CCCC2)C1
InChIInChI=1S/C15H25N5O/c1-19-11-16-18-14(19)9-12-5-4-8-20(10-12)15(21)17-13-6-2-3-7-13/h11-13H,2-10H2,1H3,(H,17,21)
InChIKeyBXXRHGWXDKEILE-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.72
Rot. Bonds3

About N-cyclopentyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide

N-cyclopentyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide (PubChem CID 110203887) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is N-cyclopentyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
PubChem CID110203887
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC NameN-cyclopentyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
SMILESCn1cnnc1CC1CCCN(C(=O)NC2CCCC2)C1
InChIInChI=1S/C15H25N5O/c1-19-11-16-18-14(19)9-12-5-4-8-20(10-12)15(21)17-13-6-2-3-7-13/h11-13H,2-10H2,1H3,(H,17,21)
InChIKeyBXXRHGWXDKEILE-UHFFFAOYSA-N
XLogP1.72
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-cyclooctyl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95577956
(3S)-N-cyclopropyl-3-[(4-methylphenyl)methyl]piperidine-1-carboxamide
CID 94384032
2-[1-(cyclohexylcarbamoyl)piperidin-3-yl]acetic acid
CID 62690079
(3R)-3-[(carbamoylamino)methyl]-N-cyclohexylpiperidine-1-carboxamide
CID 94192168
3-(aminomethyl)-N-cyclobutylpiperidine-1-carboxamide
CID 82508340
(3S)-1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81125435
3-(hydroxymethyl)-N-(1-propylpiperidin-4-yl)piperidine-1-carboxamide
CID 111508115
(3S)-3-[(1-methylimidazol-2-yl)methyl]-N-(4-nitrophenyl)piperidine-1-carboxamide
CID 124588257
(2R)-2-amino-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one
CID 120992898
(3R)-3-[(1-methylimidazol-2-yl)methyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 97099007
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]azepane-1-carboxamide
CID 115584088
3-[1-(cyclobutylcarbamoyl)piperidin-3-yl]propanoic acid
CID 62414233

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-cyclopentyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide (CID 110203887) is N-cyclopentyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide is Cn1cnnc1CC1CCCN(C(=O)NC2CCCC2)C1.
What is the InChIKey of N-cyclopentyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide?
The InChIKey is BXXRHGWXDKEILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-19-11-16-18-14(19)9-12-5-4-8-20(10-12)15(21)17-13-6-2-3-7-13/h11-13H,2-10H2,1H3,(H,17,21).
What are the key properties of N-cyclopentyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide?
N-cyclopentyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 110203887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).