N-ethyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide

C19H27N3O2 — CID 50788858

IUPACN-ethyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(c2cccc(C(=O)N3CCCC3)c2)C1
InChIInChI=1S/C19H27N3O2/c1-2-20-19(24)22-12-6-9-17(14-22)15-7-5-8-16(13-15)18(23)21-10-3-4-11-21/h5,7-8,13,17H,2-4,6,9-12,14H2,1H3,(H,20,24)
InChIKeyAAUXPRMARZQVKF-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.83
Rot. Bonds3

About N-ethyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide

N-ethyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide (PubChem CID 50788858) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-ethyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide
PubChem CID50788858
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-ethyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(c2cccc(C(=O)N3CCCC3)c2)C1
InChIInChI=1S/C19H27N3O2/c1-2-20-19(24)22-12-6-9-17(14-22)15-7-5-8-16(13-15)18(23)21-10-3-4-11-21/h5,7-8,13,17H,2-4,6,9-12,14H2,1H3,(H,20,24)
InChIKeyAAUXPRMARZQVKF-UHFFFAOYSA-N
XLogP2.83
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-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

3-[3-(azepane-1-carbonyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 46334239
N-ethyl-3-[3-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-1-carboxamide
CID 50788874
(3R)-3-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 92872896
3-[3-(dimethylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 50788867
(3R)-3-[3-(dimethylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 92890984
N-methyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide
CID 50789022
(3R)-N-ethyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92890982
3-[3-(azepane-1-carbonyl)phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 46334254
3-[3-(cyclohexylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 50788931
(3S)-N-ethyl-3-[3-(3-piperidin-1-ylpropylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92891115
(3R)-N-ethyl-3-[3-[[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl]phenyl]piperidine-1-carboxamide
CID 92891102
3-[3-[(2-ethoxyphenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide
CID 50788910

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of N-ethyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide (CID 50788858) is N-ethyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for N-ethyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide is CCNC(=O)N1CCCC(c2cccc(C(=O)N3CCCC3)c2)C1.
What is the InChIKey of N-ethyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide?
The InChIKey is AAUXPRMARZQVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-2-20-19(24)22-12-6-9-17(14-22)15-7-5-8-16(13-15)18(23)21-10-3-4-11-21/h5,7-8,13,17H,2-4,6,9-12,14H2,1H3,(H,20,24).
What are the key properties of N-ethyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide?
N-ethyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 50788858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).