N-[3-(3-chlorophenyl)phenyl]-1-(2-methoxyethyl)piperidine-4-carboxamide

C21H25ClN2O2 — CID 72940470

IUPACN-[3-(3-chlorophenyl)phenyl]-1-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCN1CCC(C(=O)Nc2cccc(-c3cccc(Cl)c3)c2)CC1
InChIInChI=1S/C21H25ClN2O2/c1-26-13-12-24-10-8-16(9-11-24)21(25)23-20-7-3-5-18(15-20)17-4-2-6-19(22)14-17/h2-7,14-16H,8-13H2,1H3,(H,23,25)
InChIKeyGFQJGONEAJKOKX-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.30
Rot. Bonds6

About N-[3-(3-chlorophenyl)phenyl]-1-(2-methoxyethyl)piperidine-4-carboxamide

N-[3-(3-chlorophenyl)phenyl]-1-(2-methoxyethyl)piperidine-4-carboxamide (PubChem CID 72940470) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)phenyl]-1-(2-methoxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)phenyl]-1-(2-methoxyethyl)piperidine-4-carboxamide
PubChem CID72940470
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC NameN-[3-(3-chlorophenyl)phenyl]-1-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCN1CCC(C(=O)Nc2cccc(-c3cccc(Cl)c3)c2)CC1
InChIInChI=1S/C21H25ClN2O2/c1-26-13-12-24-10-8-16(9-11-24)21(25)23-20-7-3-5-18(15-20)17-4-2-6-19(22)14-17/h2-7,14-16H,8-13H2,1H3,(H,23,25)
InChIKeyGFQJGONEAJKOKX-UHFFFAOYSA-N
XLogP4.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(3-chlorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754183
4-N-(3-chlorophenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide
CID 109146679
1-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chlorophenyl)piperidine-4-carboxamide
CID 170153363
1-[(3-chlorophenyl)methyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide
CID 53284530
1-(2-methoxyethyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 171096968
1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 18089102
N-[3-(3-chlorophenyl)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 45203674
N-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519523
(2S)-N-[3-(3-chlorophenyl)phenyl]-2-(2-methoxyethyl)morpholine-4-carboxamide
CID 97437523
N-(3-chlorophenyl)-1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxamide
CID 166626879
N-(3-chlorophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 1072800
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43928055

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)phenyl]-1-(2-methoxyethyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(3-chlorophenyl)phenyl]-1-(2-methoxyethyl)piperidine-4-carboxamide (CID 72940470) is N-[3-(3-chlorophenyl)phenyl]-1-(2-methoxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)phenyl]-1-(2-methoxyethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(3-chlorophenyl)phenyl]-1-(2-methoxyethyl)piperidine-4-carboxamide is COCCN1CCC(C(=O)Nc2cccc(-c3cccc(Cl)c3)c2)CC1.
What is the InChIKey of N-[3-(3-chlorophenyl)phenyl]-1-(2-methoxyethyl)piperidine-4-carboxamide?
The InChIKey is GFQJGONEAJKOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-26-13-12-24-10-8-16(9-11-24)21(25)23-20-7-3-5-18(15-20)17-4-2-6-19(22)14-17/h2-7,14-16H,8-13H2,1H3,(H,23,25).
What are the key properties of N-[3-(3-chlorophenyl)phenyl]-1-(2-methoxyethyl)piperidine-4-carboxamide?
N-[3-(3-chlorophenyl)phenyl]-1-(2-methoxyethyl)piperidine-4-carboxamide has a molecular weight of 372.90 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)phenyl]-1-(2-methoxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 72940470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).