N-benzyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide

C23H27N3O3 — CID 109135029

IUPACN-benzyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)C3CC3C(=O)NCc3ccccc3)CC2)cc1
InChIInChI=1S/C23H27N3O3/c1-29-19-9-7-18(8-10-19)25-11-13-26(14-12-25)23(28)21-15-20(21)22(27)24-16-17-5-3-2-4-6-17/h2-10,20-21H,11-16H2,1H3,(H,24,27)
InChIKeyRBHUIAUWHLYCHO-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.30
Rot. Bonds6

About N-benzyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide

N-benzyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide (PubChem CID 109135029) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-benzyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
PubChem CID109135029
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-benzyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)C3CC3C(=O)NCc3ccccc3)CC2)cc1
InChIInChI=1S/C23H27N3O3/c1-29-19-9-7-18(8-10-19)25-11-13-26(14-12-25)23(28)21-15-20(21)22(27)24-16-17-5-3-2-4-6-17/h2-10,20-21H,11-16H2,1H3,(H,24,27)
InChIKeyRBHUIAUWHLYCHO-UHFFFAOYSA-N
XLogP2.30
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109136547
N-(4-methoxyphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109138442
N-benzyl-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109018803
2-N-[(4-methoxyphenyl)methyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109136562
cis-(1R,2S)-2-(benzylcarbamoyl)cyclopropane-1-carboxylic acid
CID 51776902
N-[(4-methoxyphenyl)methyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide
CID 110961407
2-N-benzyl-1-N-(2,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109135078
N-[(4-fluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 109136049
N-[2-(4-hydroxyphenyl)ethyl]-6-[4-(4-methoxyphenyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxamide
CID 44760607
[2-(2-chlorophenyl)cyclopropyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 51291775
3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxo-N-(2-phenylethyl)propanamide
CID 108947958
N-(pyridin-4-ylmethyl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109137199

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide?
The IUPAC name of N-benzyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide (CID 109135029) is N-benzyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-benzyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-benzyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide is COc1ccc(N2CCN(C(=O)C3CC3C(=O)NCc3ccccc3)CC2)cc1.
What is the InChIKey of N-benzyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide?
The InChIKey is RBHUIAUWHLYCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-29-19-9-7-18(8-10-19)25-11-13-26(14-12-25)23(28)21-15-20(21)22(27)24-16-17-5-3-2-4-6-17/h2-10,20-21H,11-16H2,1H3,(H,24,27).
What are the key properties of N-benzyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide?
N-benzyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 109135029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).