2-(4-acetylpiperazine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide

C21H28N4O3 — CID 109134764

IUPAC2-(4-acetylpiperazine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)C2CC2C(=O)Nc2ccc(N3CCCC3)cc2)CC1
InChIInChI=1S/C21H28N4O3/c1-15(26)23-10-12-25(13-11-23)21(28)19-14-18(19)20(27)22-16-4-6-17(7-5-16)24-8-2-3-9-24/h4-7,18-19H,2-3,8-14H2,1H3,(H,22,27)
InChIKeyFRQLHPBJXHVRFF-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.55
Rot. Bonds4

About 2-(4-acetylpiperazine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide

2-(4-acetylpiperazine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide (PubChem CID 109134764) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-(4-acetylpiperazine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-acetylpiperazine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide
PubChem CID109134764
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name2-(4-acetylpiperazine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)C2CC2C(=O)Nc2ccc(N3CCCC3)cc2)CC1
InChIInChI=1S/C21H28N4O3/c1-15(26)23-10-12-25(13-11-23)21(28)19-14-18(19)20(27)22-16-4-6-17(7-5-16)24-8-2-3-9-24/h4-7,18-19H,2-3,8-14H2,1H3,(H,22,27)
InChIKeyFRQLHPBJXHVRFF-UHFFFAOYSA-N
XLogP1.55
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(morpholine-4-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 109133407
2-(azepane-1-carbonyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 109140745
2-(4-acetylpiperazine-1-carbonyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide
CID 109134762
1-N-(3-acetylphenyl)-2-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143768
N-(4-methoxyphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109138442
2-(2-ethylpiperidine-1-carbonyl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 109140342
1-acetyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 110686168
2-(azepane-1-carbonyl)-N-phenylcyclopropane-1-carboxamide
CID 109140677
N-[4-(diethylamino)phenyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131939
2-N-(2-methoxyethyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133042
N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide
CID 2889550
N-(3-acetylphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109138446

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(4-acetylpiperazine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide (CID 109134764) is 2-(4-acetylpiperazine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-acetylpiperazine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-acetylpiperazine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide is CC(=O)N1CCN(C(=O)C2CC2C(=O)Nc2ccc(N3CCCC3)cc2)CC1.
What is the InChIKey of 2-(4-acetylpiperazine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide?
The InChIKey is FRQLHPBJXHVRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-15(26)23-10-12-25(13-11-23)21(28)19-14-18(19)20(27)22-16-4-6-17(7-5-16)24-8-2-3-9-24/h4-7,18-19H,2-3,8-14H2,1H3,(H,22,27).
What are the key properties of 2-(4-acetylpiperazine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide?
2-(4-acetylpiperazine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109134764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).