1-[3-chloro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]piperidine-2-carboxamide

C23H25ClN4O2 — CID 122583375

IUPAC1-[3-chloro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1c1ccc(CCOc2ccccc2-c2cnc[nH]2)c(Cl)c1
InChIInChI=1S/C23H25ClN4O2/c24-19-13-17(28-11-4-3-6-21(28)23(25)29)9-8-16(19)10-12-30-22-7-2-1-5-18(22)20-14-26-15-27-20/h1-2,5,7-9,13-15,21H,3-4,6,10-12H2,(H2,25,29)(H,26,27)
InChIKeyKJWLPHQKRHGPBD-UHFFFAOYSA-N
MW424.93 g/mol
LogP4.20
Rot. Bonds7

About 1-[3-chloro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]piperidine-2-carboxamide

1-[3-chloro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]piperidine-2-carboxamide (PubChem CID 122583375) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is 1-[3-chloro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]piperidine-2-carboxamide
PubChem CID122583375
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC Name1-[3-chloro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1c1ccc(CCOc2ccccc2-c2cnc[nH]2)c(Cl)c1
InChIInChI=1S/C23H25ClN4O2/c24-19-13-17(28-11-4-3-6-21(28)23(25)29)9-8-16(19)10-12-30-22-7-2-1-5-18(22)20-14-26-15-27-20/h1-2,5,7-9,13-15,21H,3-4,6,10-12H2,(H2,25,29)(H,26,27)
InChIKeyKJWLPHQKRHGPBD-UHFFFAOYSA-N
XLogP4.20
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-chloro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]piperidine-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

1-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]pyrrolidin-2-one
CID 70926091
1-(4-amino-3-propoxyphenyl)piperidine-2-carboxamide
CID 63678334
1-[4-(hydroxymethyl)-3-methylphenyl]piperidine-2-carboxamide
CID 55039017
N-[3-fluoro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(oxan-4-yl)acetamide
CID 52934396
1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidine-2-carboxamide
CID 113295375
(2S)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 70876168
N-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]pyrimidin-2-amine
CID 67222889
2-[2-(1H-imidazol-5-yl)phenoxy]acetaldehyde
CID 143884984
1-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-3-phenylpropane-2-thione
CID 159392368
(2S)-1-(3-phenyl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 58067491
1-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-3-(2-nitrophenyl)propan-2-one
CID 159470931
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 9200644

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]piperidine-2-carboxamide?
The IUPAC name of 1-[3-chloro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]piperidine-2-carboxamide (CID 122583375) is 1-[3-chloro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[3-chloro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[3-chloro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]piperidine-2-carboxamide is NC(=O)C1CCCCN1c1ccc(CCOc2ccccc2-c2cnc[nH]2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]piperidine-2-carboxamide?
The InChIKey is KJWLPHQKRHGPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2/c24-19-13-17(28-11-4-3-6-21(28)23(25)29)9-8-16(19)10-12-30-22-7-2-1-5-18(22)20-14-26-15-27-20/h1-2,5,7-9,13-15,21H,3-4,6,10-12H2,(H2,25,29)(H,26,27).
What are the key properties of 1-[3-chloro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]piperidine-2-carboxamide?
1-[3-chloro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]piperidine-2-carboxamide has a molecular weight of 424.93 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 122583375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).