N-(3-chlorophenyl)-4-(3-hydroxyphenyl)piperazine-1-carboxamide

C17H18ClN3O2 — CID 78819248

IUPACN-(3-chlorophenyl)-4-(3-hydroxyphenyl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCN(c2cccc(O)c2)CC1
InChIInChI=1S/C17H18ClN3O2/c18-13-3-1-4-14(11-13)19-17(23)21-9-7-20(8-10-21)15-5-2-6-16(22)12-15/h1-6,11-12,22H,7-10H2,(H,19,23)
InChIKeyIDIRASJHIONPGB-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.40
Rot. Bonds2

About N-(3-chlorophenyl)-4-(3-hydroxyphenyl)piperazine-1-carboxamide

N-(3-chlorophenyl)-4-(3-hydroxyphenyl)piperazine-1-carboxamide (PubChem CID 78819248) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(3-hydroxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(3-hydroxyphenyl)piperazine-1-carboxamide
PubChem CID78819248
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC NameN-(3-chlorophenyl)-4-(3-hydroxyphenyl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCN(c2cccc(O)c2)CC1
InChIInChI=1S/C17H18ClN3O2/c18-13-3-1-4-14(11-13)19-17(23)21-9-7-20(8-10-21)15-5-2-6-16(22)12-15/h1-6,11-12,22H,7-10H2,(H,19,23)
InChIKeyIDIRASJHIONPGB-UHFFFAOYSA-N
XLogP3.40
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 5215586
N-(3-chlorophenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111612
N-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 108990187
N-[2-(3-chloroanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide
CID 53368887
4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide
CID 23932887
N-(3-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 646916
4-(3-chlorophenyl)-N-(3-prop-2-enoxyphenyl)piperazine-1-carboxamide
CID 60577938
4-(4-chlorophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 851976
4-(3-hydroxyphenyl)-N-(4-nitrophenyl)piperazine-1-carboxamide
CID 78819250
N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 2992397
N-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 95395003
2-methylpropyl N-[3-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]phenyl]carbamate
CID 60586638

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(3-hydroxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-(3-hydroxyphenyl)piperazine-1-carboxamide (CID 78819248) is N-(3-chlorophenyl)-4-(3-hydroxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-(3-hydroxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-(3-hydroxyphenyl)piperazine-1-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCN(c2cccc(O)c2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-4-(3-hydroxyphenyl)piperazine-1-carboxamide?
The InChIKey is IDIRASJHIONPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c18-13-3-1-4-14(11-13)19-17(23)21-9-7-20(8-10-21)15-5-2-6-16(22)12-15/h1-6,11-12,22H,7-10H2,(H,19,23).
What are the key properties of N-(3-chlorophenyl)-4-(3-hydroxyphenyl)piperazine-1-carboxamide?
N-(3-chlorophenyl)-4-(3-hydroxyphenyl)piperazine-1-carboxamide has a molecular weight of 331.80 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(3-hydroxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 78819248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).