4-(2-chlorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide

C20H22ClN3O3 — CID 24905400

IUPAC4-(2-chlorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)N2CCC(Oc3ccccc3Cl)CC2)c1
InChIInChI=1S/C20H22ClN3O3/c1-22-19(25)14-5-4-6-15(13-14)23-20(26)24-11-9-16(10-12-24)27-18-8-3-2-7-17(18)21/h2-8,13,16H,9-12H2,1H3,(H,22,25)(H,23,26)
InChIKeyDPYTYQFYDLYWHZ-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.77
Rot. Bonds4

About 4-(2-chlorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide

4-(2-chlorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide (PubChem CID 24905400) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide
PubChem CID24905400
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name4-(2-chlorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)N2CCC(Oc3ccccc3Cl)CC2)c1
InChIInChI=1S/C20H22ClN3O3/c1-22-19(25)14-5-4-6-15(13-14)23-20(26)24-11-9-16(10-12-24)27-18-8-3-2-7-17(18)21/h2-8,13,16H,9-12H2,1H3,(H,22,25)(H,23,26)
InChIKeyDPYTYQFYDLYWHZ-UHFFFAOYSA-N
XLogP3.77
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-carbamoylphenyl)-4-(2-chlorophenoxy)piperidine-1-carboxamide
CID 44577727
3-(3-fluorophenoxy)-N-[3-(methylcarbamoyl)phenyl]pyrrolidine-1-carboxamide
CID 136530045
4-(2-chlorophenoxy)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]piperidine-1-carboxamide
CID 58867845
4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 162649522
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
4-[4-(2-fluorophenoxy)piperidin-1-yl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 90616963
(1-benzoylpiperidin-4-yl)-[4-(2-chlorophenoxy)piperidin-1-yl]methanone
CID 91800796
2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoacetamide
CID 66875568
2-[[3-[[4-(3-fluorophenoxy)piperidine-1-carbonyl]amino]benzoyl]amino]acetic acid
CID 145485903
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-4-(3-methylbutoxy)piperidine-1-carboxamide
CID 112838670
1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-hydroxy-2-phenylethanone
CID 70718116
(2S)-1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-hydroxy-2-phenylethanone
CID 95861244

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(2-chlorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide (CID 24905400) is 4-(2-chlorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-chlorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(2-chlorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide is CNC(=O)c1cccc(NC(=O)N2CCC(Oc3ccccc3Cl)CC2)c1.
What is the InChIKey of 4-(2-chlorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide?
The InChIKey is DPYTYQFYDLYWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-22-19(25)14-5-4-6-15(13-14)23-20(26)24-11-9-16(10-12-24)27-18-8-3-2-7-17(18)21/h2-8,13,16H,9-12H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 4-(2-chlorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide?
4-(2-chlorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide has a molecular weight of 387.87 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 24905400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).