N-(4-methoxyphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

C17H23N3O3 — CID 109134248

IUPACN-(4-methoxyphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CC2C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C17H23N3O3/c1-19-7-9-20(10-8-19)17(22)15-11-14(15)16(21)18-12-3-5-13(23-2)6-4-12/h3-6,14-15H,7-11H2,1-2H3,(H,18,21)
InChIKeyYLITZNGYFVBKQZ-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.04
Rot. Bonds4

About N-(4-methoxyphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

N-(4-methoxyphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 109134248) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID109134248
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-(4-methoxyphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CC2C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C17H23N3O3/c1-19-7-9-20(10-8-19)17(22)15-11-14(15)16(21)18-12-3-5-13(23-2)6-4-12/h3-6,14-15H,7-11H2,1-2H3,(H,18,21)
InChIKeyYLITZNGYFVBKQZ-UHFFFAOYSA-N
XLogP1.04
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-2-(4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132673
N-(4-methoxyphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109138442
2-[(4-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270389
N-(2-methoxyphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134246
2-(azepane-1-carbonyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 109140745
(1R,6S)-N-(4-methoxyphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
CID 728952
2-(piperidine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 109132303
2-(4-formylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 109134584
N-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145697
2-(4-acetylpiperazine-1-carbonyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide
CID 109134762
1-N-(2-chlorophenyl)-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142814
N-(2,6-difluorophenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134311

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (CID 109134248) is N-(4-methoxyphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is COc1ccc(NC(=O)C2CC2C(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is YLITZNGYFVBKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-19-7-9-20(10-8-19)17(22)15-11-14(15)16(21)18-12-3-5-13(23-2)6-4-12/h3-6,14-15H,7-11H2,1-2H3,(H,18,21).
What are the key properties of N-(4-methoxyphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
N-(4-methoxyphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109134248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).