4-(2-chlorophenyl)-N-(7-hydroxynaphthalen-1-yl)piperazine-1-carboxamide

C21H20ClN3O2 — CID 10194004

IUPAC4-(2-chlorophenyl)-N-(7-hydroxynaphthalen-1-yl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc2ccc(O)cc12)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C21H20ClN3O2/c22-18-5-1-2-7-20(18)24-10-12-25(13-11-24)21(27)23-19-6-3-4-15-8-9-16(26)14-17(15)19/h1-9,14,26H,10-13H2,(H,23,27)
InChIKeyARJJNLCUSJTSTB-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.55
Rot. Bonds2

About 4-(2-chlorophenyl)-N-(7-hydroxynaphthalen-1-yl)piperazine-1-carboxamide

4-(2-chlorophenyl)-N-(7-hydroxynaphthalen-1-yl)piperazine-1-carboxamide (PubChem CID 10194004) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-(7-hydroxynaphthalen-1-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-(7-hydroxynaphthalen-1-yl)piperazine-1-carboxamide
PubChem CID10194004
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name4-(2-chlorophenyl)-N-(7-hydroxynaphthalen-1-yl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc2ccc(O)cc12)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C21H20ClN3O2/c22-18-5-1-2-7-20(18)24-10-12-25(13-11-24)21(27)23-19-6-3-4-15-8-9-16(26)14-17(15)19/h1-9,14,26H,10-13H2,(H,23,27)
InChIKeyARJJNLCUSJTSTB-UHFFFAOYSA-N
XLogP4.55
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chlorophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
CID 3669045
4-(2-chlorophenyl)-N-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 23849763
2-[(4-naphthalen-1-ylpiperazine-1-carbonyl)amino]benzoic acid
CID 69295483
4-(2-chlorophenyl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
CID 113112852
N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 2992397
N-naphthalen-1-yl-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
CID 17445165
methyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate
CID 108884718
4-formyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 3736870
N-naphthalen-1-yl-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide
CID 17465723
4-(3-chloro-2-pyridinyl)-N-isoquinolin-5-ylpiperazine-1-carboxamide
CID 46182544
4-(2-chlorophenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 17412310
4-(3-chloro-2-methylphenyl)-N-phenylpiperazine-1-carboxamide
CID 113076745

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-(7-hydroxynaphthalen-1-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-N-(7-hydroxynaphthalen-1-yl)piperazine-1-carboxamide (CID 10194004) is 4-(2-chlorophenyl)-N-(7-hydroxynaphthalen-1-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-(7-hydroxynaphthalen-1-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-(7-hydroxynaphthalen-1-yl)piperazine-1-carboxamide is O=C(Nc1cccc2ccc(O)cc12)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 4-(2-chlorophenyl)-N-(7-hydroxynaphthalen-1-yl)piperazine-1-carboxamide?
The InChIKey is ARJJNLCUSJTSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c22-18-5-1-2-7-20(18)24-10-12-25(13-11-24)21(27)23-19-6-3-4-15-8-9-16(26)14-17(15)19/h1-9,14,26H,10-13H2,(H,23,27).
What are the key properties of 4-(2-chlorophenyl)-N-(7-hydroxynaphthalen-1-yl)piperazine-1-carboxamide?
4-(2-chlorophenyl)-N-(7-hydroxynaphthalen-1-yl)piperazine-1-carboxamide has a molecular weight of 381.86 g/mol, XLogP of 4.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-(7-hydroxynaphthalen-1-yl)piperazine-1-carboxamide is sourced from PubChem (CID 10194004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).