N-butyl-N-cyclopropyl-1-piperidin-4-yltriazole-4-carboxamide

C15H25N5O — CID 63283305

IUPACN-butyl-N-cyclopropyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCCCN(C(=O)c1cn(C2CCNCC2)nn1)C1CC1
InChIInChI=1S/C15H25N5O/c1-2-3-10-19(12-4-5-12)15(21)14-11-20(18-17-14)13-6-8-16-9-7-13/h11-13,16H,2-10H2,1H3
InChIKeyYPGNHJWQRLQYNB-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.61
Rot. Bonds6

About N-butyl-N-cyclopropyl-1-piperidin-4-yltriazole-4-carboxamide

N-butyl-N-cyclopropyl-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 63283305) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is N-butyl-N-cyclopropyl-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-cyclopropyl-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID63283305
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC NameN-butyl-N-cyclopropyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCCCN(C(=O)c1cn(C2CCNCC2)nn1)C1CC1
InChIInChI=1S/C15H25N5O/c1-2-3-10-19(12-4-5-12)15(21)14-11-20(18-17-14)13-6-8-16-9-7-13/h11-13,16H,2-10H2,1H3
InChIKeyYPGNHJWQRLQYNB-UHFFFAOYSA-N
XLogP1.61
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672309
N-cyclopropyl-N-[(4-ethylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119715413
N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671423
N-butyl-N-(1-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119797616
4-[methyl-(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoic acid
CID 63284811
N-[3-(dipropylamino)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119861207
N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-piperidin-4-yl-N-propyltriazole-4-carboxamide
CID 119800326
N-(cyclopropylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide
CID 63954765
N-butan-2-yl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119737731
N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672595
N-heptan-2-yl-1-piperidin-4-yltriazole-4-carboxamide
CID 63283433
N-cyclooctyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119763852

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-cyclopropyl-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-butyl-N-cyclopropyl-1-piperidin-4-yltriazole-4-carboxamide (CID 63283305) is N-butyl-N-cyclopropyl-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-butyl-N-cyclopropyl-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-butyl-N-cyclopropyl-1-piperidin-4-yltriazole-4-carboxamide is CCCCN(C(=O)c1cn(C2CCNCC2)nn1)C1CC1.
What is the InChIKey of N-butyl-N-cyclopropyl-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is YPGNHJWQRLQYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-2-3-10-19(12-4-5-12)15(21)14-11-20(18-17-14)13-6-8-16-9-7-13/h11-13,16H,2-10H2,1H3.
What are the key properties of N-butyl-N-cyclopropyl-1-piperidin-4-yltriazole-4-carboxamide?
N-butyl-N-cyclopropyl-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-cyclopropyl-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 63283305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).