N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpiperidine-1-carboxamide

C13H25N3O — CID 115623615

IUPACN-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NCCN(C)C2CC2)C1
InChIInChI=1S/C13H25N3O/c1-11-4-3-8-16(10-11)13(17)14-7-9-15(2)12-5-6-12/h11-12H,3-10H2,1-2H3,(H,14,17)
InChIKeyZTAZXAQGLXAGSC-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.52
Rot. Bonds4

About N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpiperidine-1-carboxamide

N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpiperidine-1-carboxamide (PubChem CID 115623615) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpiperidine-1-carboxamide
PubChem CID115623615
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NCCN(C)C2CC2)C1
InChIInChI=1S/C13H25N3O/c1-11-4-3-8-16(10-11)13(17)14-7-9-15(2)12-5-6-12/h11-12H,3-10H2,1-2H3,(H,14,17)
InChIKeyZTAZXAQGLXAGSC-UHFFFAOYSA-N
XLogP1.52
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]acetic acid
CID 62978191
N-[2-[cyclohexyl(methyl)amino]ethyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111143840
3-methyl-N-[3-(N-methylanilino)propyl]piperidine-1-carboxamide
CID 115583169
N-ethyl-3-methylpiperidine-1-carboxamide
CID 89048200
N-(4-amino-4-oxobutyl)-3-methylpiperidine-1-carboxamide
CID 115584144
3-methyl-N-prop-2-enylpiperidine-1-carboxamide
CID 108987828
N-[2-(dimethylamino)ethyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523021
3-methyl-N-[2-(3-methylcyclohexyl)ethyl]piperidine-1-carboxamide
CID 115629689
3-methyl-N-(3-methylsulfonylpropyl)piperidine-1-carboxamide
CID 113234945
2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 62978547
3-methyl-N-(2-pyridin-4-ylethyl)piperidine-1-carboxamide
CID 113258779
N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboxamide
CID 108902116

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpiperidine-1-carboxamide (CID 115623615) is N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpiperidine-1-carboxamide is CC1CCCN(C(=O)NCCN(C)C2CC2)C1.
What is the InChIKey of N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpiperidine-1-carboxamide?
The InChIKey is ZTAZXAQGLXAGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11-4-3-8-16(10-11)13(17)14-7-9-15(2)12-5-6-12/h11-12H,3-10H2,1-2H3,(H,14,17).
What are the key properties of N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpiperidine-1-carboxamide?
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpiperidine-1-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 115623615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).