5-methyl-N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide

C19H35N5O — CID 119672592

IUPAC5-methyl-N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)N(CCC(C)C)CCC(C)C)nnn1C1CCNCC1
InChIInChI=1S/C19H35N5O/c1-14(2)8-12-23(13-9-15(3)4)19(25)18-16(5)24(22-21-18)17-6-10-20-11-7-17/h14-15,17,20H,6-13H2,1-5H3
InChIKeyOIHBGZMMQBKMFM-UHFFFAOYSA-N
MW349.52 g/mol
LogP3.05
Rot. Bonds8

About 5-methyl-N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide

5-methyl-N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119672592) has the molecular formula C19H35N5O and a molecular weight of 349.52 g/mol. Its IUPAC name is 5-methyl-N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119672592
Molecular FormulaC19H35N5O
Molecular Weight349.52 g/mol
Exact Mass349.28
IUPAC Name5-methyl-N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)N(CCC(C)C)CCC(C)C)nnn1C1CCNCC1
InChIInChI=1S/C19H35N5O/c1-14(2)8-12-23(13-9-15(3)4)19(25)18-16(5)24(22-21-18)17-6-10-20-11-7-17/h14-15,17,20H,6-13H2,1-5H3
InChIKeyOIHBGZMMQBKMFM-UHFFFAOYSA-N
XLogP3.05
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(2-methylpropyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide
CID 119730921
N-(2-ethoxyethyl)-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119754980
N-cyclopropyl-5-methyl-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide;hydrochloride
CID 119728041
N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 124683395
N-butyl-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672305
N-cyclopropyl-N-(1-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119728865
N-cyclopentyl-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119722097
N-ethyl-5-methyl-N-(2-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119736297
N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672595
N-(2-methoxyethyl)-5-methyl-N-pentan-3-yl-1-piperidin-4-yltriazole-4-carboxamide
CID 119729618
N-cyclopropyl-5-methyl-N-(4-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119733287
[(3S)-3-(3-methylbutyl)piperidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 99850060

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of 5-methyl-N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide (CID 119672592) is 5-methyl-N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for 5-methyl-N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide is Cc1c(C(=O)N(CCC(C)C)CCC(C)C)nnn1C1CCNCC1.
What is the InChIKey of 5-methyl-N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is OIHBGZMMQBKMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5O/c1-14(2)8-12-23(13-9-15(3)4)19(25)18-16(5)24(22-21-18)17-6-10-20-11-7-17/h14-15,17,20H,6-13H2,1-5H3.
What are the key properties of 5-methyl-N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide?
5-methyl-N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 349.52 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119672592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).