N-[(3R,4S)-1-(5-methyl-2H-triazole-4-carbonyl)-4-phenylpiperidin-3-yl]methanesulfonamide

C16H21N5O3S — CID 169422252

IUPACN-[(3R,4S)-1-(5-methyl-2H-triazole-4-carbonyl)-4-phenylpiperidin-3-yl]methanesulfonamide
SMILESCc1n[nH]nc1C(=O)N1CC[C@@H](c2ccccc2)[C@@H](NS(C)(=O)=O)C1
InChIInChI=1S/C16H21N5O3S/c1-11-15(18-20-17-11)16(22)21-9-8-13(12-6-4-3-5-7-12)14(10-21)19-25(2,23)24/h3-7,13-14,19H,8-10H2,1-2H3,(H,17,18,20)/t13-,14-/m0/s1
InChIKeyMOVFCYRDDZAQNT-KBPBESRZSA-N
MW363.44 g/mol
LogP0.66
Rot. Bonds4

About N-[(3R,4S)-1-(5-methyl-2H-triazole-4-carbonyl)-4-phenylpiperidin-3-yl]methanesulfonamide

N-[(3R,4S)-1-(5-methyl-2H-triazole-4-carbonyl)-4-phenylpiperidin-3-yl]methanesulfonamide (PubChem CID 169422252) has the molecular formula C16H21N5O3S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[(3R,4S)-1-(5-methyl-2H-triazole-4-carbonyl)-4-phenylpiperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-(5-methyl-2H-triazole-4-carbonyl)-4-phenylpiperidin-3-yl]methanesulfonamide
PubChem CID169422252
Molecular FormulaC16H21N5O3S
Molecular Weight363.44 g/mol
Exact Mass363.14
IUPAC NameN-[(3R,4S)-1-(5-methyl-2H-triazole-4-carbonyl)-4-phenylpiperidin-3-yl]methanesulfonamide
SMILESCc1n[nH]nc1C(=O)N1CC[C@@H](c2ccccc2)[C@@H](NS(C)(=O)=O)C1
InChIInChI=1S/C16H21N5O3S/c1-11-15(18-20-17-11)16(22)21-9-8-13(12-6-4-3-5-7-12)14(10-21)19-25(2,23)24/h3-7,13-14,19H,8-10H2,1-2H3,(H,17,18,20)/t13-,14-/m0/s1
InChIKeyMOVFCYRDDZAQNT-KBPBESRZSA-N
XLogP0.66
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3R,4S)-1-(5-methyl-2H-triazole-4-carbonyl)-4-phenylpiperidin-3-yl]methanesulfonamide with MolForge

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Related Compounds

4-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]-2H-phthalazin-1-one
CID 16674823
3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-2H-triazol-4-yl)methanone
CID 110691665
N-[1-(1H-indazole-3-carbonyl)piperidin-3-yl]methanesulfonamide
CID 51079181
N-[(3R,4S)-1-(2-hydroxyacetyl)-4-phenylpiperidin-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 169415587
tert-butyl N-[(3R,4R)-4-phenyl-1-(2,2,2-trifluoroacetyl)piperidin-3-yl]carbamate
CID 142693881
3-[(3S,4R)-3-methyl-4-phenylpiperidine-1-carbonyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136729315
3,4-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one
CID 154857691
N-[1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methanesulfonamide
CID 55478344
N-[1-(2,2-difluoro-3-phenylpropanoyl)pyrrolidin-3-yl]methanesulfonamide
CID 154801356
3-(3-methyl-4-phenylpiperidine-1-carbonyl)-1H-pyrazole-5-carboxylic acid
CID 154846754
[4-(3-chlorophenyl)piperazin-1-yl]-(5-methyl-2H-triazol-4-yl)methanone
CID 110691694
N-[(3S,4R)-1-(2H-benzotriazole-5-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 70774223

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-(5-methyl-2H-triazole-4-carbonyl)-4-phenylpiperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3R,4S)-1-(5-methyl-2H-triazole-4-carbonyl)-4-phenylpiperidin-3-yl]methanesulfonamide (CID 169422252) is N-[(3R,4S)-1-(5-methyl-2H-triazole-4-carbonyl)-4-phenylpiperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R,4S)-1-(5-methyl-2H-triazole-4-carbonyl)-4-phenylpiperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3R,4S)-1-(5-methyl-2H-triazole-4-carbonyl)-4-phenylpiperidin-3-yl]methanesulfonamide is Cc1n[nH]nc1C(=O)N1CC[C@@H](c2ccccc2)[C@@H](NS(C)(=O)=O)C1.
What is the InChIKey of N-[(3R,4S)-1-(5-methyl-2H-triazole-4-carbonyl)-4-phenylpiperidin-3-yl]methanesulfonamide?
The InChIKey is MOVFCYRDDZAQNT-KBPBESRZSA-N. The full InChI is InChI=1S/C16H21N5O3S/c1-11-15(18-20-17-11)16(22)21-9-8-13(12-6-4-3-5-7-12)14(10-21)19-25(2,23)24/h3-7,13-14,19H,8-10H2,1-2H3,(H,17,18,20)/t13-,14-/m0/s1.
What are the key properties of N-[(3R,4S)-1-(5-methyl-2H-triazole-4-carbonyl)-4-phenylpiperidin-3-yl]methanesulfonamide?
N-[(3R,4S)-1-(5-methyl-2H-triazole-4-carbonyl)-4-phenylpiperidin-3-yl]methanesulfonamide has a molecular weight of 363.44 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-(5-methyl-2H-triazole-4-carbonyl)-4-phenylpiperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 169422252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).