3-N-[3-[methyl(methylsulfonyl)amino]propyl]piperidine-1,3-dicarboxamide

C12H24N4O4S — CID 71896140

IUPAC3-N-[3-[methyl(methylsulfonyl)amino]propyl]piperidine-1,3-dicarboxamide
SMILESCN(CCCNC(=O)C1CCCN(C(N)=O)C1)S(C)(=O)=O
InChIInChI=1S/C12H24N4O4S/c1-15(21(2,19)20)7-4-6-14-11(17)10-5-3-8-16(9-10)12(13)18/h10H,3-9H2,1-2H3,(H2,13,18)(H,14,17)
InChIKeyQQUGDWTYFKILJF-UHFFFAOYSA-N
MW320.42 g/mol
LogP-0.83
Rot. Bonds6

About 3-N-[3-[methyl(methylsulfonyl)amino]propyl]piperidine-1,3-dicarboxamide

3-N-[3-[methyl(methylsulfonyl)amino]propyl]piperidine-1,3-dicarboxamide (PubChem CID 71896140) has the molecular formula C12H24N4O4S and a molecular weight of 320.42 g/mol. Its IUPAC name is 3-N-[3-[methyl(methylsulfonyl)amino]propyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[3-[methyl(methylsulfonyl)amino]propyl]piperidine-1,3-dicarboxamide
PubChem CID71896140
Molecular FormulaC12H24N4O4S
Molecular Weight320.42 g/mol
Exact Mass320.15
IUPAC Name3-N-[3-[methyl(methylsulfonyl)amino]propyl]piperidine-1,3-dicarboxamide
SMILESCN(CCCNC(=O)C1CCCN(C(N)=O)C1)S(C)(=O)=O
InChIInChI=1S/C12H24N4O4S/c1-15(21(2,19)20)7-4-6-14-11(17)10-5-3-8-16(9-10)12(13)18/h10H,3-9H2,1-2H3,(H2,13,18)(H,14,17)
InChIKeyQQUGDWTYFKILJF-UHFFFAOYSA-N
XLogP-0.83
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-acetyl-N-[3-(dimethylamino)propyl]piperidine-3-carboxamide
CID 110686073
(3R)-N-[3-[methyl(methylsulfonyl)amino]propyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 95129932
3-N-[(2S)-2-hydroxypropyl]piperidine-1,3-dicarboxamide
CID 83059648
3-N-(2-ethylbutyl)piperidine-1,3-dicarboxamide
CID 115612806
1-(3-amino-2-methyl-3-oxopropanoyl)-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 173078011
(3S)-3-N-[2-(3,5-dichlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 95160101
(3S)-3-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1,3-dicarboxamide
CID 97113726
2-[(1-carbamoylpiperidine-3-carbonyl)amino]oxyacetic acid
CID 63914917
N-(2-aminoethyl)-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 119385384
methyl 3-(butylcarbamoyl)piperidine-1-carboxylate
CID 110754259
(3S)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 9081950
(3R)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 9081948

Frequently Asked Questions

What is the IUPAC name of 3-N-[3-[methyl(methylsulfonyl)amino]propyl]piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[3-[methyl(methylsulfonyl)amino]propyl]piperidine-1,3-dicarboxamide (CID 71896140) is 3-N-[3-[methyl(methylsulfonyl)amino]propyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[3-[methyl(methylsulfonyl)amino]propyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[3-[methyl(methylsulfonyl)amino]propyl]piperidine-1,3-dicarboxamide is CN(CCCNC(=O)C1CCCN(C(N)=O)C1)S(C)(=O)=O.
What is the InChIKey of 3-N-[3-[methyl(methylsulfonyl)amino]propyl]piperidine-1,3-dicarboxamide?
The InChIKey is QQUGDWTYFKILJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O4S/c1-15(21(2,19)20)7-4-6-14-11(17)10-5-3-8-16(9-10)12(13)18/h10H,3-9H2,1-2H3,(H2,13,18)(H,14,17).
What are the key properties of 3-N-[3-[methyl(methylsulfonyl)amino]propyl]piperidine-1,3-dicarboxamide?
3-N-[3-[methyl(methylsulfonyl)amino]propyl]piperidine-1,3-dicarboxamide has a molecular weight of 320.42 g/mol, XLogP of -0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-[methyl(methylsulfonyl)amino]propyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 71896140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).