N-(furan-2-ylmethyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide

C21H25N3O3 — CID 108974595

IUPACN-(furan-2-ylmethyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)C3(C(=O)NCc4ccco4)CC3)CC2)c1
InChIInChI=1S/C21H25N3O3/c1-16-4-2-5-17(14-16)23-9-11-24(12-10-23)20(26)21(7-8-21)19(25)22-15-18-6-3-13-27-18/h2-6,13-14H,7-12,15H2,1H3,(H,22,25)
InChIKeyGFHNNCAAKOZBKH-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.33
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide

N-(furan-2-ylmethyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide (PubChem CID 108974595) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
PubChem CID108974595
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-(furan-2-ylmethyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)C3(C(=O)NCc4ccco4)CC3)CC2)c1
InChIInChI=1S/C21H25N3O3/c1-16-4-2-5-17(14-16)23-9-11-24(12-10-23)20(26)21(7-8-21)19(25)22-15-18-6-3-13-27-18/h2-6,13-14H,7-12,15H2,1H3,(H,22,25)
InChIKeyGFHNNCAAKOZBKH-UHFFFAOYSA-N
XLogP2.33
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.33
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

1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 108976949
N-(2-methoxyethyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108972715
1-(azepane-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 108974620
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
1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 108974601
1-(4-benzylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 108974583
N-(2,4-dimethylphenyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108978759
[6-(furan-2-ylmethylamino)-3-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109155308
N-(2-chlorophenyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108978770
N-[(3-methylphenyl)methyl]-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 108973043
[4-(furan-2-ylmethylamino)-2-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109209484

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide (CID 108974595) is N-(furan-2-ylmethyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide is Cc1cccc(N2CCN(C(=O)C3(C(=O)NCc4ccco4)CC3)CC2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide?
The InChIKey is GFHNNCAAKOZBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-16-4-2-5-17(14-16)23-9-11-24(12-10-23)20(26)21(7-8-21)19(25)22-15-18-6-3-13-27-18/h2-6,13-14H,7-12,15H2,1H3,(H,22,25).
What are the key properties of N-(furan-2-ylmethyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide?
N-(furan-2-ylmethyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 108974595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).