1-N-cyclobutyl-3-N-methylpiperidine-1,3-dicarboxamide

C12H21N3O2 — CID 113239797

IUPAC1-N-cyclobutyl-3-N-methylpiperidine-1,3-dicarboxamide
SMILESCNC(=O)C1CCCN(C(=O)NC2CCC2)C1
InChIInChI=1S/C12H21N3O2/c1-13-11(16)9-4-3-7-15(8-9)12(17)14-10-5-2-6-10/h9-10H,2-8H2,1H3,(H,13,16)(H,14,17)
InChIKeyYHQYYLFGSICBSW-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.71
Rot. Bonds2

About 1-N-cyclobutyl-3-N-methylpiperidine-1,3-dicarboxamide

1-N-cyclobutyl-3-N-methylpiperidine-1,3-dicarboxamide (PubChem CID 113239797) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-N-cyclobutyl-3-N-methylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclobutyl-3-N-methylpiperidine-1,3-dicarboxamide
PubChem CID113239797
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-N-cyclobutyl-3-N-methylpiperidine-1,3-dicarboxamide
SMILESCNC(=O)C1CCCN(C(=O)NC2CCC2)C1
InChIInChI=1S/C12H21N3O2/c1-13-11(16)9-4-3-7-15(8-9)12(17)14-10-5-2-6-10/h9-10H,2-8H2,1H3,(H,13,16)(H,14,17)
InChIKeyYHQYYLFGSICBSW-UHFFFAOYSA-N
XLogP0.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 103197211
3-N-cyclohexyl-1-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 51055483
(3R)-1-N-cyclohexyl-3-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 7435356
1-N-cyclopentyl-3-N-[2-(methylamino)ethyl]piperidine-1,3-dicarboxamide
CID 119500364
3-N-cyclohexyl-1-N-(oxan-4-yl)piperidine-1,3-dicarboxamide
CID 71936022
3-N-(1-amino-2-methylpropan-2-yl)-1-N-cyclopentylpiperidine-1,3-dicarboxamide
CID 119521732
(3R)-3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-cyclopentylpiperidine-1-carboxamide
CID 97080257
2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]acetic acid
CID 103197217
1-N-cyclopentyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide;hydrochloride
CID 119449955
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
N-cyclohexyl-3-(dimethylamino)piperidine-1-carboxamide
CID 115613906
N-[4-(methylamino)cyclohexyl]azepane-1-carboxamide
CID 79152452

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclobutyl-3-N-methylpiperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-cyclobutyl-3-N-methylpiperidine-1,3-dicarboxamide (CID 113239797) is 1-N-cyclobutyl-3-N-methylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-cyclobutyl-3-N-methylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-cyclobutyl-3-N-methylpiperidine-1,3-dicarboxamide is CNC(=O)C1CCCN(C(=O)NC2CCC2)C1.
What is the InChIKey of 1-N-cyclobutyl-3-N-methylpiperidine-1,3-dicarboxamide?
The InChIKey is YHQYYLFGSICBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-13-11(16)9-4-3-7-15(8-9)12(17)14-10-5-2-6-10/h9-10H,2-8H2,1H3,(H,13,16)(H,14,17).
What are the key properties of 1-N-cyclobutyl-3-N-methylpiperidine-1,3-dicarboxamide?
1-N-cyclobutyl-3-N-methylpiperidine-1,3-dicarboxamide has a molecular weight of 239.32 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclobutyl-3-N-methylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 113239797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).