1-methylsulfonyl-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide

C13H25N3O4S — CID 46516639

IUPAC1-methylsulfonyl-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide
SMILESCCCNC(=O)C(C)NC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H25N3O4S/c1-4-7-14-12(17)10(2)15-13(18)11-5-8-16(9-6-11)21(3,19)20/h10-11H,4-9H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyDCFBFCXNAAUIHE-UHFFFAOYSA-N
MW319.43 g/mol
LogP-0.31
Rot. Bonds6

About 1-methylsulfonyl-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide

1-methylsulfonyl-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide (PubChem CID 46516639) has the molecular formula C13H25N3O4S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide
PubChem CID46516639
Molecular FormulaC13H25N3O4S
Molecular Weight319.43 g/mol
Exact Mass319.16
IUPAC Name1-methylsulfonyl-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide
SMILESCCCNC(=O)C(C)NC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H25N3O4S/c1-4-7-14-12(17)10(2)15-13(18)11-5-8-16(9-6-11)21(3,19)20/h10-11H,4-9H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyDCFBFCXNAAUIHE-UHFFFAOYSA-N
XLogP-0.31
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-oxo-1-(propylamino)propan-2-yl]cyclopropanecarboxamide
CID 60659669
1-methylsulfonyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 7255930
1-naphthalen-2-ylsulfonyl-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide
CID 46520815
ethane;1-methylsulfonyl-N-[6-(propan-2-ylamino)hexyl]piperidine-4-carboxamide
CID 170709349
N-(2-amino-2-ethylbutyl)-1-methylsulfonylpiperidine-4-carboxamide;hydrochloride
CID 119642002
N-[(1R)-1-(4-ethylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 95877731
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 8750729
1-(1-methylsulfonylpiperidine-4-carbonyl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 47088084
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 8756858
N-[(4-ethylcyclohexyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 48861702
2-methoxy-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 106107966
N-butan-2-yl-1-(diethylsulfamoyl)piperidine-4-carboxamide
CID 4136250

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide (CID 46516639) is 1-methylsulfonyl-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide is CCCNC(=O)C(C)NC(=O)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-methylsulfonyl-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide?
The InChIKey is DCFBFCXNAAUIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4S/c1-4-7-14-12(17)10(2)15-13(18)11-5-8-16(9-6-11)21(3,19)20/h10-11H,4-9H2,1-3H3,(H,14,17)(H,15,18).
What are the key properties of 1-methylsulfonyl-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide?
1-methylsulfonyl-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide has a molecular weight of 319.43 g/mol, XLogP of -0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46516639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).