1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide

C22H26N4O2 — CID 108976949

IUPAC1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)C3(C(=O)NCc4ccncc4)CC3)CC2)c1
InChIInChI=1S/C22H26N4O2/c1-17-3-2-4-19(15-17)25-11-13-26(14-12-25)21(28)22(7-8-22)20(27)24-16-18-5-9-23-10-6-18/h2-6,9-10,15H,7-8,11-14,16H2,1H3,(H,24,27)
InChIKeyUIRUZJFPSQXJMC-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.14
Rot. Bonds5

About 1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide

1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 108976949) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
PubChem CID108976949
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)C3(C(=O)NCc4ccncc4)CC3)CC2)c1
InChIInChI=1S/C22H26N4O2/c1-17-3-2-4-19(15-17)25-11-13-26(14-12-25)21(28)22(7-8-22)20(27)24-16-18-5-9-23-10-6-18/h2-6,9-10,15H,7-8,11-14,16H2,1H3,(H,24,27)
InChIKeyUIRUZJFPSQXJMC-UHFFFAOYSA-N
XLogP2.14
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108974595
1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-(2-phenylethyl)cyclopropane-1-carboxamide
CID 108977101
1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclopropane-1-carboxamide
CID 108970450
N-(2-methoxyethyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108972715
ethyl 4-[1-(pyridin-4-ylmethylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108976948
N-[(3-methylphenyl)methyl]-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 108973043
N-(2,4-dimethylphenyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108978759
N-(2-chlorophenyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108978770
N-[(2-methylphenyl)methyl]-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974926
N-benzyl-N-methyl-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108975522
[4-(3-methylphenyl)piperazin-1-yl]-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]methanone
CID 109121250
1-(4-benzylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 108976967

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide (CID 108976949) is 1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide is Cc1cccc(N2CCN(C(=O)C3(C(=O)NCc4ccncc4)CC3)CC2)c1.
What is the InChIKey of 1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is UIRUZJFPSQXJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-17-3-2-4-19(15-17)25-11-13-26(14-12-25)21(28)22(7-8-22)20(27)24-16-18-5-9-23-10-6-18/h2-6,9-10,15H,7-8,11-14,16H2,1H3,(H,24,27).
What are the key properties of 1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide?
1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108976949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).