1-(4-chlorobenzoyl)-N-[2-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;hydrochloride

C22H27Cl2N3O2 — CID 119439295

IUPAC1-(4-chlorobenzoyl)-N-[2-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1.Cl
InChIInChI=1S/C22H26ClN3O2.ClH/c1-2-24-14-17-6-3-4-8-20(17)25-21(27)18-7-5-13-26(15-18)22(28)16-9-11-19(23)12-10-16;/h3-4,6,8-12,18,24H,2,5,7,13-15H2,1H3,(H,25,27);1H
InChIKeyILRZHLWRBMHUFI-UHFFFAOYSA-N
MW436.38 g/mol
LogP4.36
Rot. Bonds6

About 1-(4-chlorobenzoyl)-N-[2-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;hydrochloride

1-(4-chlorobenzoyl)-N-[2-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119439295) has the molecular formula C22H27Cl2N3O2 and a molecular weight of 436.38 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-[2-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-[2-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119439295
Molecular FormulaC22H27Cl2N3O2
Molecular Weight436.38 g/mol
Exact Mass435.15
IUPAC Name1-(4-chlorobenzoyl)-N-[2-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1.Cl
InChIInChI=1S/C22H26ClN3O2.ClH/c1-2-24-14-17-6-3-4-8-20(17)25-21(27)18-7-5-13-26(15-18)22(28)16-9-11-19(23)12-10-16;/h3-4,6,8-12,18,24H,2,5,7,13-15H2,1H3,(H,25,27);1H
InChIKeyILRZHLWRBMHUFI-UHFFFAOYSA-N
XLogP4.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.38
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(2-benzylphenyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 2161170
1-(4-chlorobenzoyl)-N-[2-[(4-chlorobenzoyl)amino]phenyl]piperidine-3-carboxamide
CID 46439094
3-N-[2-(ethylaminomethyl)phenyl]-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide
CID 119439381
1-benzoyl-N-[2-(ethylaminomethyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119440143
1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide
CID 47100006
2-[2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
CID 119218307
N-[2-(ethylaminomethyl)phenyl]-1-methylpyrrolidine-3-carboxamide
CID 54938600
1-(4-chlorobenzoyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 24683038
1-(4-chlorobenzoyl)-N-(4-chloro-2-fluorophenyl)piperidine-3-carboxamide
CID 134062571
N-(2-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272015
(3S)-1-(4-chlorobenzoyl)-N-ethoxypiperidine-3-carboxamide
CID 94171693
(3R)-1-(4-chlorobenzoyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 39996060

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-[2-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(4-chlorobenzoyl)-N-[2-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;hydrochloride (CID 119439295) is 1-(4-chlorobenzoyl)-N-[2-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-[2-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-[2-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;hydrochloride is CCNCc1ccccc1NC(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1.Cl.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-[2-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is ILRZHLWRBMHUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2.ClH/c1-2-24-14-17-6-3-4-8-20(17)25-21(27)18-7-5-13-26(15-18)22(28)16-9-11-19(23)12-10-16;/h3-4,6,8-12,18,24H,2,5,7,13-15H2,1H3,(H,25,27);1H.
What are the key properties of 1-(4-chlorobenzoyl)-N-[2-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;hydrochloride?
1-(4-chlorobenzoyl)-N-[2-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 436.38 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-[2-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119439295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).