3-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide

C13H25N3O — CID 63130405

IUPAC3-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
SMILESCC1(C(=O)NCCN2CCCC2)CCCNC1
InChIInChI=1S/C13H25N3O/c1-13(5-4-6-14-11-13)12(17)15-7-10-16-8-2-3-9-16/h14H,2-11H2,1H3,(H,15,17)
InChIKeyRZJMGAASUQBELO-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.59
Rot. Bonds4

About 3-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide

3-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide (PubChem CID 63130405) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
PubChem CID63130405
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
SMILESCC1(C(=O)NCCN2CCCC2)CCCNC1
InChIInChI=1S/C13H25N3O/c1-13(5-4-6-14-11-13)12(17)15-7-10-16-8-2-3-9-16/h14H,2-11H2,1H3,(H,15,17)
InChIKeyRZJMGAASUQBELO-UHFFFAOYSA-N
XLogP0.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 63141304
3-methyl-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 119836645
3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 55164315
N-hexyl-3-methylpiperidine-3-carboxamide
CID 63130071
3-methyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide
CID 63131076
4-methyl-N-(2-pyrrolidin-1-ylethyl)oxane-4-carboxamide
CID 70985347
N-(3-methoxypropyl)-3-methylpiperidine-3-carboxamide
CID 63130047
3-methyl-N-pent-3-ynylpiperidine-3-carboxamide
CID 116644144
4-methyl-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 63121401
N-(3-cyanopropyl)-3-methylpiperidine-3-carboxamide
CID 63133316
2-hydroxy-4-[(3-methylpiperidine-3-carbonyl)amino]butanoic acid
CID 114006844
7-[(3-methylpiperidine-3-carbonyl)amino]heptanoic acid
CID 63131790

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
The IUPAC name of 3-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide (CID 63130405) is 3-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide is CC1(C(=O)NCCN2CCCC2)CCCNC1.
What is the InChIKey of 3-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
The InChIKey is RZJMGAASUQBELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-13(5-4-6-14-11-13)12(17)15-7-10-16-8-2-3-9-16/h14H,2-11H2,1H3,(H,15,17).
What are the key properties of 3-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
3-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 63130405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).