1-(4-chlorobenzoyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]piperidine-3-carboxamide

C25H32ClN3O3 — CID 55527967

IUPAC1-(4-chlorobenzoyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]piperidine-3-carboxamide
SMILESCCN(CC)CCOc1ccc(NC(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C25H32ClN3O3/c1-3-28(4-2)16-17-32-23-13-11-22(12-14-23)27-24(30)20-6-5-15-29(18-20)25(31)19-7-9-21(26)10-8-19/h7-14,20H,3-6,15-18H2,1-2H3,(H,27,30)
InChIKeyJROBLJFHKOUHEQ-UHFFFAOYSA-N
MW458.00 g/mol
LogP4.55
Rot. Bonds9

About 1-(4-chlorobenzoyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]piperidine-3-carboxamide

1-(4-chlorobenzoyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]piperidine-3-carboxamide (PubChem CID 55527967) has the molecular formula C25H32ClN3O3 and a molecular weight of 458.00 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]piperidine-3-carboxamide
PubChem CID55527967
Molecular FormulaC25H32ClN3O3
Molecular Weight458.00 g/mol
Exact Mass457.21
IUPAC Name1-(4-chlorobenzoyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]piperidine-3-carboxamide
SMILESCCN(CC)CCOc1ccc(NC(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C25H32ClN3O3/c1-3-28(4-2)16-17-32-23-13-11-22(12-14-23)27-24(30)20-6-5-15-29(18-20)25(31)19-7-9-21(26)10-8-19/h7-14,20H,3-6,15-18H2,1-2H3,(H,27,30)
InChIKeyJROBLJFHKOUHEQ-UHFFFAOYSA-N
XLogP4.55
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.00
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorobenzoyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-3-carboxamide
CID 4202434
(3S)-N-(4-ethoxyphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51562316
1-(4-chlorobenzoyl)-N-[4-(piperidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 50804302
(3S)-1-[4-[2-(diethylamino)ethoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 124610415
1-(4-chlorobenzoyl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide
CID 25162245
(3S)-1-(4-chlorobenzoyl)-N-(4-phenylphenyl)piperidine-3-carboxamide
CID 2542955
N-(4-chlorophenyl)-1-[3-(diethylsulfamoyl)benzoyl]piperidine-3-carboxamide
CID 71681722
1-(4-chlorobenzoyl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 4876797
(3S)-1-(4-chlorobenzoyl)-N-ethoxypiperidine-3-carboxamide
CID 94171693
1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide
CID 47100006
N-(4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55623806
(3R)-1-(4-chlorobenzoyl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]piperidine-3-carboxamide
CID 51862019

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]piperidine-3-carboxamide (CID 55527967) is 1-(4-chlorobenzoyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]piperidine-3-carboxamide is CCN(CC)CCOc1ccc(NC(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]piperidine-3-carboxamide?
The InChIKey is JROBLJFHKOUHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN3O3/c1-3-28(4-2)16-17-32-23-13-11-22(12-14-23)27-24(30)20-6-5-15-29(18-20)25(31)19-7-9-21(26)10-8-19/h7-14,20H,3-6,15-18H2,1-2H3,(H,27,30).
What are the key properties of 1-(4-chlorobenzoyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]piperidine-3-carboxamide?
1-(4-chlorobenzoyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]piperidine-3-carboxamide has a molecular weight of 458.00 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 55527967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).