N-(3-chloro-4-methoxyphenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide

C18H20ClN3O3 — CID 55696657

IUPACN-(3-chloro-4-methoxyphenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3ccccc3O)CC2)cc1Cl
InChIInChI=1S/C18H20ClN3O3/c1-25-17-7-6-13(12-14(17)19)20-18(24)22-10-8-21(9-11-22)15-4-2-3-5-16(15)23/h2-7,12,23H,8-11H2,1H3,(H,20,24)
InChIKeyHKMMCGBJYMRFIP-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.41
Rot. Bonds3

About N-(3-chloro-4-methoxyphenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide

N-(3-chloro-4-methoxyphenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide (PubChem CID 55696657) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
PubChem CID55696657
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3ccccc3O)CC2)cc1Cl
InChIInChI=1S/C18H20ClN3O3/c1-25-17-7-6-13(12-14(17)19)20-18(24)22-10-8-21(9-11-22)15-4-2-3-5-16(15)23/h2-7,12,23H,8-11H2,1H3,(H,20,24)
InChIKeyHKMMCGBJYMRFIP-UHFFFAOYSA-N
XLogP3.41
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113113423
methyl 2-chloro-5-[[4-(2-methoxyphenyl)piperazine-1-carbonyl]amino]benzoate
CID 55740855
N-(3-chloro-4-methoxyphenyl)-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 108989593
N-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 113111056
N-(3-chloro-4-methoxyphenyl)-4-ethylpiperazine-1-carboxamide
CID 108988526
N-(3-chloro-4-fluorophenyl)-4-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
CID 113113341
N-(3-chloro-4-methoxyphenyl)-4-(6-methylpyridazin-3-yl)piperazine-1-carboxamide
CID 50946755
N-(3-acetamidophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 55696051
4-(4-chloro-2,5-dimethoxyphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113111403
N-(3-chloro-4-methoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113103998
N-(3,4-dimethoxyphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 2210416
N-(3-chloro-4-methoxyphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2264838

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide (CID 55696657) is N-(3-chloro-4-methoxyphenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(c3ccccc3O)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide?
The InChIKey is HKMMCGBJYMRFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-25-17-7-6-13(12-14(17)19)20-18(24)22-10-8-21(9-11-22)15-4-2-3-5-16(15)23/h2-7,12,23H,8-11H2,1H3,(H,20,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide?
N-(3-chloro-4-methoxyphenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide has a molecular weight of 361.83 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 55696657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).