N-[2-(4-chlorophenoxy)phenyl]piperazine-1-carboxamide

C17H18ClN3O2 — CID 162623805

IUPACN-[2-(4-chlorophenoxy)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccc(Cl)cc1)N1CCNCC1
InChIInChI=1S/C17H18ClN3O2/c18-13-5-7-14(8-6-13)23-16-4-2-1-3-15(16)20-17(22)21-11-9-19-10-12-21/h1-8,19H,9-12H2,(H,20,22)
InChIKeyJPHNKKCOXHPREM-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.57
Rot. Bonds3

About N-[2-(4-chlorophenoxy)phenyl]piperazine-1-carboxamide

N-[2-(4-chlorophenoxy)phenyl]piperazine-1-carboxamide (PubChem CID 162623805) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)phenyl]piperazine-1-carboxamide
PubChem CID162623805
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC NameN-[2-(4-chlorophenoxy)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccc(Cl)cc1)N1CCNCC1
InChIInChI=1S/C17H18ClN3O2/c18-13-5-7-14(8-6-13)23-16-4-2-1-3-15(16)20-17(22)21-11-9-19-10-12-21/h1-8,19H,9-12H2,(H,20,22)
InChIKeyJPHNKKCOXHPREM-UHFFFAOYSA-N
XLogP3.57
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)phenyl]piperazine-1-carboxamide
CID 174500073
N-(4-chloro-2-methylphenyl)piperazine-1-carboxamide
CID 22615613
4-oxo-N-(2-phenoxyphenyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 24735797
(3R)-3-amino-N-(2-phenoxyphenyl)pyrrolidine-1-carboxamide
CID 142326301
(4R)-4-amino-N-(2-phenoxyphenyl)azepane-1-carboxamide
CID 125166844
N-[2-(dimethylamino)phenyl]piperazine-1-carboxamide
CID 70416652
N-(2-phenoxyphenyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 3268615
2-(2-aminoethyl)-N-[2-(4-fluorophenoxy)phenyl]morpholine-4-carboxamide
CID 74240763
N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 43288448
N-[2-(2-chlorophenoxy)phenyl]-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 55698903
4-[(4-chlorophenyl)methyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 24612351
1-[[2-(4-methylphenoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122074253

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)phenyl]piperazine-1-carboxamide?
The IUPAC name of N-[2-(4-chlorophenoxy)phenyl]piperazine-1-carboxamide (CID 162623805) is N-[2-(4-chlorophenoxy)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)phenyl]piperazine-1-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)phenyl]piperazine-1-carboxamide is O=C(Nc1ccccc1Oc1ccc(Cl)cc1)N1CCNCC1.
What is the InChIKey of N-[2-(4-chlorophenoxy)phenyl]piperazine-1-carboxamide?
The InChIKey is JPHNKKCOXHPREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c18-13-5-7-14(8-6-13)23-16-4-2-1-3-15(16)20-17(22)21-11-9-19-10-12-21/h1-8,19H,9-12H2,(H,20,22).
What are the key properties of N-[2-(4-chlorophenoxy)phenyl]piperazine-1-carboxamide?
N-[2-(4-chlorophenoxy)phenyl]piperazine-1-carboxamide has a molecular weight of 331.80 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 162623805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).