3-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpropanamide

C15H23N3O3S — CID 119699916

IUPAC3-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpropanamide
SMILESCS(=O)(=O)N1CCC(NC(=O)C(CN)c2ccccc2)CC1
InChIInChI=1S/C15H23N3O3S/c1-22(20,21)18-9-7-13(8-10-18)17-15(19)14(11-16)12-5-3-2-4-6-12/h2-6,13-14H,7-11,16H2,1H3,(H,17,19)
InChIKeyVIRNRTJKKMCGCD-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.27
Rot. Bonds5

About 3-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpropanamide

3-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpropanamide (PubChem CID 119699916) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 3-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpropanamide
PubChem CID119699916
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name3-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpropanamide
SMILESCS(=O)(=O)N1CCC(NC(=O)C(CN)c2ccccc2)CC1
InChIInChI=1S/C15H23N3O3S/c1-22(20,21)18-9-7-13(8-10-18)17-15(19)14(11-16)12-5-3-2-4-6-12/h2-6,13-14H,7-11,16H2,1H3,(H,17,19)
InChIKeyVIRNRTJKKMCGCD-UHFFFAOYSA-N
XLogP0.27
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(1-methylpiperidin-4-yl)-2-phenylpropanamide
CID 62877300
(2S)-2-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylacetamide
CID 104897197
2-amino-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide;hydrochloride
CID 119276757
1-(3,3-diphenylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 31989348
2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-2-phenylacetamide
CID 119278332
3-amino-N-(3-methylcyclobutyl)-2-phenylpropanamide
CID 113266937
4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxamide;hydrochloride
CID 119776410
ethyl 4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxylate
CID 119738180
(2S)-N-(1-methylpiperidin-4-yl)-2-phenylbutanamide
CID 1246145
3-amino-2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 106111386
ethyl 4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxylate;hydrochloride
CID 119738179
1-methylsulfonyl-N-(2-phenylpropyl)piperidin-4-amine
CID 43432051

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpropanamide?
The IUPAC name of 3-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpropanamide (CID 119699916) is 3-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpropanamide is CS(=O)(=O)N1CCC(NC(=O)C(CN)c2ccccc2)CC1.
What is the InChIKey of 3-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpropanamide?
The InChIKey is VIRNRTJKKMCGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-22(20,21)18-9-7-13(8-10-18)17-15(19)14(11-16)12-5-3-2-4-6-12/h2-6,13-14H,7-11,16H2,1H3,(H,17,19).
What are the key properties of 3-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpropanamide?
3-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpropanamide has a molecular weight of 325.43 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpropanamide is sourced from PubChem (CID 119699916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).