N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrrolidine-2-carboxamide

C14H25N3O — CID 54898994

IUPACN-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrrolidine-2-carboxamide
SMILESCN1C2CCC1CC(CNC(=O)C1CCCN1)C2
InChIInChI=1S/C14H25N3O/c1-17-11-4-5-12(17)8-10(7-11)9-16-14(18)13-3-2-6-15-13/h10-13,15H,2-9H2,1H3,(H,16,18)
InChIKeySQGHBKUUVOKBFM-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.73
Rot. Bonds3

About N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrrolidine-2-carboxamide

N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 54898994) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID54898994
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrrolidine-2-carboxamide
SMILESCN1C2CCC1CC(CNC(=O)C1CCCN1)C2
InChIInChI=1S/C14H25N3O/c1-17-11-4-5-12(17)8-10(7-11)9-16-14(18)13-3-2-6-15-13/h10-13,15H,2-9H2,1H3,(H,16,18)
InChIKeySQGHBKUUVOKBFM-UHFFFAOYSA-N
XLogP0.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-2-carboxamide
CID 54898996
(2S)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-2-carboxamide
CID 104913494
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-3-carboxamide
CID 54899042
(2S)-N-[(3-methylcyclopentyl)methyl]pyrrolidine-2-carboxamide
CID 107413261
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide
CID 54927244
N-[(4-ethylcyclohexyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119300473
(2R)-N-[(1-ethylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide
CID 103814111
(2S)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119866896
(2R)-N-[(2-methylcyclopropyl)methyl]pyrrolidine-2-carboxamide
CID 103795243
(2S)-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide
CID 103796007
(2R)-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide
CID 103796004
N-(cyclooctylmethyl)piperidine-2-carboxamide;hydrochloride
CID 119299438

Frequently Asked Questions

What is the IUPAC name of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrrolidine-2-carboxamide (CID 54898994) is N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrrolidine-2-carboxamide is CN1C2CCC1CC(CNC(=O)C1CCCN1)C2.
What is the InChIKey of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is SQGHBKUUVOKBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-17-11-4-5-12(17)8-10(7-11)9-16-14(18)13-3-2-6-15-13/h10-13,15H,2-9H2,1H3,(H,16,18).
What are the key properties of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrrolidine-2-carboxamide?
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 54898994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).