2-amino-N-methyl-4-methylsulfonyl-N-(1-phenylpiperidin-3-yl)butanamide

C17H27N3O3S — CID 119958110

IUPAC2-amino-N-methyl-4-methylsulfonyl-N-(1-phenylpiperidin-3-yl)butanamide
SMILESCN(C(=O)C(N)CCS(C)(=O)=O)C1CCCN(c2ccccc2)C1
InChIInChI=1S/C17H27N3O3S/c1-19(17(21)16(18)10-12-24(2,22)23)15-9-6-11-20(13-15)14-7-4-3-5-8-14/h3-5,7-8,15-16H,6,9-13,18H2,1-2H3
InChIKeyJXVNBWSVYZRKFP-UHFFFAOYSA-N
MW353.49 g/mol
LogP0.88
Rot. Bonds6

About 2-amino-N-methyl-4-methylsulfonyl-N-(1-phenylpiperidin-3-yl)butanamide

2-amino-N-methyl-4-methylsulfonyl-N-(1-phenylpiperidin-3-yl)butanamide (PubChem CID 119958110) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 2-amino-N-methyl-4-methylsulfonyl-N-(1-phenylpiperidin-3-yl)butanamide.

Molecular Properties

Compound Name2-amino-N-methyl-4-methylsulfonyl-N-(1-phenylpiperidin-3-yl)butanamide
PubChem CID119958110
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name2-amino-N-methyl-4-methylsulfonyl-N-(1-phenylpiperidin-3-yl)butanamide
SMILESCN(C(=O)C(N)CCS(C)(=O)=O)C1CCCN(c2ccccc2)C1
InChIInChI=1S/C17H27N3O3S/c1-19(17(21)16(18)10-12-24(2,22)23)15-9-6-11-20(13-15)14-7-4-3-5-8-14/h3-5,7-8,15-16H,6,9-13,18H2,1-2H3
InChIKeyJXVNBWSVYZRKFP-UHFFFAOYSA-N
XLogP0.88
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-methyl-4-methylsulfanyl-N-(1-phenylpiperidin-3-yl)butanamide
CID 119889652
3-ethyl-1-methyl-1-(1-phenylpiperidin-3-yl)urea
CID 136526166
2-amino-N-methyl-N-(1-phenylpiperidin-3-yl)benzamide
CID 119947279
4-amino-N-methyl-N-(1-phenylpiperidin-3-yl)butanamide
CID 119889710
N-[(2R)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 97061605
2-amino-N-methyl-4-methylsulfonyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 60939711
3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide
CID 119889662
3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 119889661
2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-methylsulfonylbutanamide
CID 43579578
2-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)pentanamide
CID 119328400
N-methyl-N-(1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide
CID 119889712
(2S)-2-amino-N-[(3R)-1-benzylpiperidin-3-yl]-N,3-dimethylbutanamide
CID 66563977

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-4-methylsulfonyl-N-(1-phenylpiperidin-3-yl)butanamide?
The IUPAC name of 2-amino-N-methyl-4-methylsulfonyl-N-(1-phenylpiperidin-3-yl)butanamide (CID 119958110) is 2-amino-N-methyl-4-methylsulfonyl-N-(1-phenylpiperidin-3-yl)butanamide.
What is the SMILES notation for 2-amino-N-methyl-4-methylsulfonyl-N-(1-phenylpiperidin-3-yl)butanamide?
The canonical SMILES for 2-amino-N-methyl-4-methylsulfonyl-N-(1-phenylpiperidin-3-yl)butanamide is CN(C(=O)C(N)CCS(C)(=O)=O)C1CCCN(c2ccccc2)C1.
What is the InChIKey of 2-amino-N-methyl-4-methylsulfonyl-N-(1-phenylpiperidin-3-yl)butanamide?
The InChIKey is JXVNBWSVYZRKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-19(17(21)16(18)10-12-24(2,22)23)15-9-6-11-20(13-15)14-7-4-3-5-8-14/h3-5,7-8,15-16H,6,9-13,18H2,1-2H3.
What are the key properties of 2-amino-N-methyl-4-methylsulfonyl-N-(1-phenylpiperidin-3-yl)butanamide?
2-amino-N-methyl-4-methylsulfonyl-N-(1-phenylpiperidin-3-yl)butanamide has a molecular weight of 353.49 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-4-methylsulfonyl-N-(1-phenylpiperidin-3-yl)butanamide is sourced from PubChem (CID 119958110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).