1-ethyl-4-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]piperidine

C15H26N4 — CID 125019244

IUPAC1-ethyl-4-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]piperidine
SMILESCCN1CCC(N2CC[C@H](c3ncc(C)[nH]3)C2)CC1
InChIInChI=1S/C15H26N4/c1-3-18-7-5-14(6-8-18)19-9-4-13(11-19)15-16-10-12(2)17-15/h10,13-14H,3-9,11H2,1-2H3,(H,16,17)/t13-/m0/s1
InChIKeyXUOQPVZQBYEZEG-ZDUSSCGKSA-N
MW262.40 g/mol
LogP1.99
Rot. Bonds3

About 1-ethyl-4-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]piperidine

1-ethyl-4-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]piperidine (PubChem CID 125019244) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-ethyl-4-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]piperidine.

Molecular Properties

Compound Name1-ethyl-4-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]piperidine
PubChem CID125019244
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name1-ethyl-4-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]piperidine
SMILESCCN1CCC(N2CC[C@H](c3ncc(C)[nH]3)C2)CC1
InChIInChI=1S/C15H26N4/c1-3-18-7-5-14(6-8-18)19-9-4-13(11-19)15-16-10-12(2)17-15/h10,13-14H,3-9,11H2,1-2H3,(H,16,17)/t13-/m0/s1
InChIKeyXUOQPVZQBYEZEG-ZDUSSCGKSA-N
XLogP1.99
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-4-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]piperidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]piperidine?
The IUPAC name of 1-ethyl-4-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]piperidine (CID 125019244) is 1-ethyl-4-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]piperidine.
What is the SMILES notation for 1-ethyl-4-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]piperidine?
The canonical SMILES for 1-ethyl-4-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]piperidine is CCN1CCC(N2CC[C@H](c3ncc(C)[nH]3)C2)CC1.
What is the InChIKey of 1-ethyl-4-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]piperidine?
The InChIKey is XUOQPVZQBYEZEG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H26N4/c1-3-18-7-5-14(6-8-18)19-9-4-13(11-19)15-16-10-12(2)17-15/h10,13-14H,3-9,11H2,1-2H3,(H,16,17)/t13-/m0/s1.
What are the key properties of 1-ethyl-4-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]piperidine?
1-ethyl-4-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]piperidine has a molecular weight of 262.40 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]piperidine is sourced from PubChem (CID 125019244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).