5-methyl-N-(2-methylpropyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide

C16H29N5O — CID 119730921

IUPAC5-methyl-N-(2-methylpropyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide
SMILESCc1c(C(=O)N(CC(C)C)C(C)C)nnn1C1CCNCC1
InChIInChI=1S/C16H29N5O/c1-11(2)10-20(12(3)4)16(22)15-13(5)21(19-18-15)14-6-8-17-9-7-14/h11-12,14,17H,6-10H2,1-5H3
InChIKeyDEGGMODXHOGLDI-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.02
Rot. Bonds5

About 5-methyl-N-(2-methylpropyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide

5-methyl-N-(2-methylpropyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide (PubChem CID 119730921) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is 5-methyl-N-(2-methylpropyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-methylpropyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide
PubChem CID119730921
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC Name5-methyl-N-(2-methylpropyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide
SMILESCc1c(C(=O)N(CC(C)C)C(C)C)nnn1C1CCNCC1
InChIInChI=1S/C16H29N5O/c1-11(2)10-20(12(3)4)16(22)15-13(5)21(19-18-15)14-6-8-17-9-7-14/h11-12,14,17H,6-10H2,1-5H3
InChIKeyDEGGMODXHOGLDI-UHFFFAOYSA-N
XLogP2.02
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119672592
N-cyclopropyl-5-methyl-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide;hydrochloride
CID 119728041
N-(2-methoxyethyl)-5-methyl-N-pentan-3-yl-1-piperidin-4-yltriazole-4-carboxamide
CID 119729618
N-benzyl-N-butan-2-yl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119688822
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-cyclopropyl-5-methyl-N-(4-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119733287
N-butyl-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672305
5-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119812287
N-butyl-5-methyl-N-(1-phenylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119783777
N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 124683395
5-methyl-N-(3-methylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119678385

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methylpropyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(2-methylpropyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide (CID 119730921) is 5-methyl-N-(2-methylpropyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-methylpropyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(2-methylpropyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide is Cc1c(C(=O)N(CC(C)C)C(C)C)nnn1C1CCNCC1.
What is the InChIKey of 5-methyl-N-(2-methylpropyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide?
The InChIKey is DEGGMODXHOGLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O/c1-11(2)10-20(12(3)4)16(22)15-13(5)21(19-18-15)14-6-8-17-9-7-14/h11-12,14,17H,6-10H2,1-5H3.
What are the key properties of 5-methyl-N-(2-methylpropyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide?
5-methyl-N-(2-methylpropyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methylpropyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide is sourced from PubChem (CID 119730921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).