N-methyl-N-(2-methylsulfonylethyl)-1-piperidin-4-yltriazole-4-carboxamide

C12H21N5O3S — CID 79841941

IUPACN-methyl-N-(2-methylsulfonylethyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCN(CCS(C)(=O)=O)C(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C12H21N5O3S/c1-16(7-8-21(2,19)20)12(18)11-9-17(15-14-11)10-3-5-13-6-4-10/h9-10,13H,3-8H2,1-2H3
InChIKeyXQNQIWXEWYMNDX-UHFFFAOYSA-N
MW315.40 g/mol
LogP-0.68
Rot. Bonds5

About N-methyl-N-(2-methylsulfonylethyl)-1-piperidin-4-yltriazole-4-carboxamide

N-methyl-N-(2-methylsulfonylethyl)-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 79841941) has the molecular formula C12H21N5O3S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-methyl-N-(2-methylsulfonylethyl)-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylsulfonylethyl)-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID79841941
Molecular FormulaC12H21N5O3S
Molecular Weight315.40 g/mol
Exact Mass315.14
IUPAC NameN-methyl-N-(2-methylsulfonylethyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCN(CCS(C)(=O)=O)C(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C12H21N5O3S/c1-16(7-8-21(2,19)20)12(18)11-9-17(15-14-11)10-3-5-13-6-4-10/h9-10,13H,3-8H2,1-2H3
InChIKeyXQNQIWXEWYMNDX-UHFFFAOYSA-N
XLogP-0.68
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[methyl-(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoic acid
CID 63284811
N-butyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672309
N-(1H-imidazol-2-ylmethyl)-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 64518073
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119683686
N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671423
N-[3-(4-methoxyphenyl)propyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119739216
N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119733735
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119766864
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119695557
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-[(4-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119680469

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylsulfonylethyl)-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-methyl-N-(2-methylsulfonylethyl)-1-piperidin-4-yltriazole-4-carboxamide (CID 79841941) is N-methyl-N-(2-methylsulfonylethyl)-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methylsulfonylethyl)-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-methyl-N-(2-methylsulfonylethyl)-1-piperidin-4-yltriazole-4-carboxamide is CN(CCS(C)(=O)=O)C(=O)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-methyl-N-(2-methylsulfonylethyl)-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is XQNQIWXEWYMNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3S/c1-16(7-8-21(2,19)20)12(18)11-9-17(15-14-11)10-3-5-13-6-4-10/h9-10,13H,3-8H2,1-2H3.
What are the key properties of N-methyl-N-(2-methylsulfonylethyl)-1-piperidin-4-yltriazole-4-carboxamide?
N-methyl-N-(2-methylsulfonylethyl)-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 315.40 g/mol, XLogP of -0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylsulfonylethyl)-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 79841941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).