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

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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).