4-(3-methoxybenzoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide

C24H27N5O4 — CID 55836464

IUPAC4-(3-methoxybenzoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide
SMILESCOc1cccc(C(=O)N2CCN(C(=O)Nc3cccc(OCCn4cccn4)c3)CC2)c1
InChIInChI=1S/C24H27N5O4/c1-32-21-7-2-5-19(17-21)23(30)27-11-13-28(14-12-27)24(31)26-20-6-3-8-22(18-20)33-16-15-29-10-4-9-25-29/h2-10,17-18H,11-16H2,1H3,(H,26,31)
InChIKeyVZLYJQLPBSVWHL-UHFFFAOYSA-N
MW449.51 g/mol
LogP2.96
Rot. Bonds7

About 4-(3-methoxybenzoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide

4-(3-methoxybenzoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide (PubChem CID 55836464) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is 4-(3-methoxybenzoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-methoxybenzoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide
PubChem CID55836464
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC Name4-(3-methoxybenzoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide
SMILESCOc1cccc(C(=O)N2CCN(C(=O)Nc3cccc(OCCn4cccn4)c3)CC2)c1
InChIInChI=1S/C24H27N5O4/c1-32-21-7-2-5-19(17-21)23(30)27-11-13-28(14-12-27)24(31)26-20-6-3-8-22(18-20)33-16-15-29-10-4-9-25-29/h2-10,17-18H,11-16H2,1H3,(H,26,31)
InChIKeyVZLYJQLPBSVWHL-UHFFFAOYSA-N
XLogP2.96
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(furan-2-carbonyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide
CID 55836335
4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide
CID 55835823
N-(3-benzamidophenyl)-4-(3-methoxybenzoyl)piperazine-1-carboxamide
CID 55747739
1-(3-methoxyphenyl)-2,5-dimethyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrole-3-carboxamide
CID 55967503
4-[2-(2-ethylimidazol-1-yl)ethyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 90561852
N-(3-acetylphenyl)-4-(3,5-dimethoxybenzoyl)piperazine-1-carboxamide
CID 55696947
tert-butyl N-[3-[[3-(2-pyrazol-1-ylethoxy)phenyl]carbamoyl]phenyl]carbamate
CID 55766558
4-phenyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
CID 55767479
2-(2-methylphenyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-1-carboxamide
CID 55833259
3-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)benzamide
CID 109053712
N-(2-methylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide
CID 87039258
1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
CID 70763536

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxybenzoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-methoxybenzoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide (CID 55836464) is 4-(3-methoxybenzoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-methoxybenzoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-methoxybenzoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide is COc1cccc(C(=O)N2CCN(C(=O)Nc3cccc(OCCn4cccn4)c3)CC2)c1.
What is the InChIKey of 4-(3-methoxybenzoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide?
The InChIKey is VZLYJQLPBSVWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4/c1-32-21-7-2-5-19(17-21)23(30)27-11-13-28(14-12-27)24(31)26-20-6-3-8-22(18-20)33-16-15-29-10-4-9-25-29/h2-10,17-18H,11-16H2,1H3,(H,26,31).
What are the key properties of 4-(3-methoxybenzoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide?
4-(3-methoxybenzoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide has a molecular weight of 449.51 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxybenzoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 55836464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).