N-(3-carbamoylphenyl)-4-(2-chlorophenoxy)piperidine-1-carboxamide

C19H20ClN3O3 — CID 44577727

IUPACN-(3-carbamoylphenyl)-4-(2-chlorophenoxy)piperidine-1-carboxamide
SMILESNC(=O)c1cccc(NC(=O)N2CCC(Oc3ccccc3Cl)CC2)c1
InChIInChI=1S/C19H20ClN3O3/c20-16-6-1-2-7-17(16)26-15-8-10-23(11-9-15)19(25)22-14-5-3-4-13(12-14)18(21)24/h1-7,12,15H,8-11H2,(H2,21,24)(H,22,25)
InChIKeyWJQOSUGDFRZKKB-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.51
Rot. Bonds4

About N-(3-carbamoylphenyl)-4-(2-chlorophenoxy)piperidine-1-carboxamide

N-(3-carbamoylphenyl)-4-(2-chlorophenoxy)piperidine-1-carboxamide (PubChem CID 44577727) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is N-(3-carbamoylphenyl)-4-(2-chlorophenoxy)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoylphenyl)-4-(2-chlorophenoxy)piperidine-1-carboxamide
PubChem CID44577727
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC NameN-(3-carbamoylphenyl)-4-(2-chlorophenoxy)piperidine-1-carboxamide
SMILESNC(=O)c1cccc(NC(=O)N2CCC(Oc3ccccc3Cl)CC2)c1
InChIInChI=1S/C19H20ClN3O3/c20-16-6-1-2-7-17(16)26-15-8-10-23(11-9-15)19(25)22-14-5-3-4-13(12-14)18(21)24/h1-7,12,15H,8-11H2,(H2,21,24)(H,22,25)
InChIKeyWJQOSUGDFRZKKB-UHFFFAOYSA-N
XLogP3.51
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chlorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 24905400
2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoacetamide
CID 66875568
4-(2-chlorophenoxy)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]piperidine-1-carboxamide
CID 58867845
(1-benzoylpiperidin-4-yl)-[4-(2-chlorophenoxy)piperidin-1-yl]methanone
CID 91800796
4-[4-(2-fluorophenoxy)piperidin-1-yl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 90616963
[4-(2-chlorophenoxy)piperidin-1-yl]-(oxiran-2-yl)methanone
CID 154879916
N-(3-chlorophenyl)-4-pyridin-3-yloxypiperidine-1-carboxamide
CID 90566112
[3-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]urea
CID 119133483
1-[2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120549413
(2S)-1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-hydroxy-2-phenylethanone
CID 95861244
1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-hydroxy-2-phenylethanone
CID 70718116
2-(2-chlorophenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]propanamide
CID 43886884

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoylphenyl)-4-(2-chlorophenoxy)piperidine-1-carboxamide?
The IUPAC name of N-(3-carbamoylphenyl)-4-(2-chlorophenoxy)piperidine-1-carboxamide (CID 44577727) is N-(3-carbamoylphenyl)-4-(2-chlorophenoxy)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-carbamoylphenyl)-4-(2-chlorophenoxy)piperidine-1-carboxamide?
The canonical SMILES for N-(3-carbamoylphenyl)-4-(2-chlorophenoxy)piperidine-1-carboxamide is NC(=O)c1cccc(NC(=O)N2CCC(Oc3ccccc3Cl)CC2)c1.
What is the InChIKey of N-(3-carbamoylphenyl)-4-(2-chlorophenoxy)piperidine-1-carboxamide?
The InChIKey is WJQOSUGDFRZKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c20-16-6-1-2-7-17(16)26-15-8-10-23(11-9-15)19(25)22-14-5-3-4-13(12-14)18(21)24/h1-7,12,15H,8-11H2,(H2,21,24)(H,22,25).
What are the key properties of N-(3-carbamoylphenyl)-4-(2-chlorophenoxy)piperidine-1-carboxamide?
N-(3-carbamoylphenyl)-4-(2-chlorophenoxy)piperidine-1-carboxamide has a molecular weight of 373.84 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoylphenyl)-4-(2-chlorophenoxy)piperidine-1-carboxamide is sourced from PubChem (CID 44577727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).