N-(3,4-dimethoxyphenyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

C18H25N3O4 — CID 108974020

IUPACN-(3,4-dimethoxyphenyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(C(=O)N3CCN(C)CC3)CC2)cc1OC
InChIInChI=1S/C18H25N3O4/c1-20-8-10-21(11-9-20)17(23)18(6-7-18)16(22)19-13-4-5-14(24-2)15(12-13)25-3/h4-5,12H,6-11H2,1-3H3,(H,19,22)
InChIKeyOQVXQLLYEQQGMO-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.20
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

N-(3,4-dimethoxyphenyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 108974020) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID108974020
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC NameN-(3,4-dimethoxyphenyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(C(=O)N3CCN(C)CC3)CC2)cc1OC
InChIInChI=1S/C18H25N3O4/c1-20-8-10-21(11-9-20)17(23)18(6-7-18)16(22)19-13-4-5-14(24-2)15(12-13)25-3/h4-5,12H,6-11H2,1-3H3,(H,19,22)
InChIKeyOQVXQLLYEQQGMO-UHFFFAOYSA-N
XLogP1.20
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 55034788
N-(3-chloro-4-methoxyphenyl)-1-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974343
N-(3,4-dimethoxyphenyl)-1-[1-(piperidine-1-carbonyl)cyclopropyl]cyclopropane-1-carboxamide
CID 100780625
1-carbamothioyl-N-(3,4-dimethoxyphenyl)cyclobutane-1-carboxamide
CID 80591866
1-(4-ethylpiperazine-1-carbonyl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide
CID 108974224
N-(4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971682
1-(4-formylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 108974349
1-(3,4-dimethoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108866230
N-(3-methoxyphenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972063
N-(3,4-dimethylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 108973116
1-N-benzyl-1-N'-(3,4-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108974842
1-cyano-N-(3,4-dimethoxyphenyl)cyclobutane-1-carboxamide
CID 78994979

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (CID 108974020) is N-(3,4-dimethoxyphenyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is COc1ccc(NC(=O)C2(C(=O)N3CCN(C)CC3)CC2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is OQVXQLLYEQQGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-20-8-10-21(11-9-20)17(23)18(6-7-18)16(22)19-13-4-5-14(24-2)15(12-13)25-3/h4-5,12H,6-11H2,1-3H3,(H,19,22).
What are the key properties of N-(3,4-dimethoxyphenyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
N-(3,4-dimethoxyphenyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108974020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).