1-(4-benzylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide

C21H25N3O3 — CID 108974583

IUPAC1-(4-benzylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1ccco1)C1(C(=O)N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C21H25N3O3/c25-19(22-15-18-7-4-14-27-18)21(8-9-21)20(26)24-12-10-23(11-13-24)16-17-5-2-1-3-6-17/h1-7,14H,8-13,15-16H2,(H,22,25)
InChIKeyLDTAVDYPJBVKEV-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.02
Rot. Bonds6

About 1-(4-benzylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide

1-(4-benzylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 108974583) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-(4-benzylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-benzylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
PubChem CID108974583
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name1-(4-benzylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1ccco1)C1(C(=O)N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C21H25N3O3/c25-19(22-15-18-7-4-14-27-18)21(8-9-21)20(26)24-12-10-23(11-13-24)16-17-5-2-1-3-6-17/h1-7,14H,8-13,15-16H2,(H,22,25)
InChIKeyLDTAVDYPJBVKEV-UHFFFAOYSA-N
XLogP2.02
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-benzylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 108974601
1-(azepane-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 108974620
N-(furan-2-ylmethyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108974600
1-(4-benzylpiperazine-1-carbonyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide
CID 108978115
N-(furan-2-ylmethyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108974595
N-benzyl-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971956
1-(furan-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62097630
1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-prop-2-enylcyclopropane-1-carboxamide
CID 108970845
1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-phenylcyclopropane-1-carboxamide
CID 108978891
1-benzyl-N-(furan-2-ylmethyl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051125
N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106373
1-benzyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 43921227

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-benzylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide (CID 108974583) is 1-(4-benzylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-benzylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-benzylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide is O=C(NCc1ccco1)C1(C(=O)N2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-(4-benzylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is LDTAVDYPJBVKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c25-19(22-15-18-7-4-14-27-18)21(8-9-21)20(26)24-12-10-23(11-13-24)16-17-5-2-1-3-6-17/h1-7,14H,8-13,15-16H2,(H,22,25).
What are the key properties of 1-(4-benzylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide?
1-(4-benzylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108974583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).