1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-phenylcyclopropane-1-carboxamide

C20H21N3O4 — CID 108978891

IUPAC1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-phenylcyclopropane-1-carboxamide
SMILESO=C(c1ccco1)N1CCN(C(=O)C2(C(=O)Nc3ccccc3)CC2)CC1
InChIInChI=1S/C20H21N3O4/c24-17(16-7-4-14-27-16)22-10-12-23(13-11-22)19(26)20(8-9-20)18(25)21-15-5-2-1-3-6-15/h1-7,14H,8-13H2,(H,21,25)
InChIKeyNAVSFJRMGTUVAB-UHFFFAOYSA-N
MW367.40 g/mol
LogP1.98
Rot. Bonds4

About 1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-phenylcyclopropane-1-carboxamide

1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-phenylcyclopropane-1-carboxamide (PubChem CID 108978891) has the molecular formula C20H21N3O4 and a molecular weight of 367.40 g/mol. Its IUPAC name is 1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-phenylcyclopropane-1-carboxamide
PubChem CID108978891
Molecular FormulaC20H21N3O4
Molecular Weight367.40 g/mol
Exact Mass367.15
IUPAC Name1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-phenylcyclopropane-1-carboxamide
SMILESO=C(c1ccco1)N1CCN(C(=O)C2(C(=O)Nc3ccccc3)CC2)CC1
InChIInChI=1S/C20H21N3O4/c24-17(16-7-4-14-27-16)22-10-12-23(13-11-22)19(26)20(8-9-20)18(25)21-15-5-2-1-3-6-15/h1-7,14H,8-13H2,(H,21,25)
InChIKeyNAVSFJRMGTUVAB-UHFFFAOYSA-N
XLogP1.98
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 51.98
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-(furan-2-carbonyl)piperazine-1-carbonyl]-N-prop-2-enylcyclopropane-1-carboxamide
CID 108970845
1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 108974601
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 773151
N-[3-(dimethylamino)propyl]-1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108973773
furan-2-yl-[4-(1-hydroxycyclopentanecarbonyl)piperazin-1-yl]methanone
CID 110906971
furan-2-yl-[4-(1-pyrrol-1-ylcyclohexanecarbonyl)piperazin-1-yl]methanone
CID 46328246
1-(4-benzylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 108974583
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-hydroxyphenyl)-2-oxoacetamide
CID 108502139
5-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylpyrazine-2-carboxamide
CID 109286555
5-[1-(furan-2-carbonyl)piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46376420
[4-[(1R,3R,4S)-3-aminobicyclo[2.1.0]pentane-1-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 167944128
N-(4-acetylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 2204977

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-phenylcyclopropane-1-carboxamide?
The IUPAC name of 1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-phenylcyclopropane-1-carboxamide (CID 108978891) is 1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-phenylcyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-phenylcyclopropane-1-carboxamide is O=C(c1ccco1)N1CCN(C(=O)C2(C(=O)Nc3ccccc3)CC2)CC1.
What is the InChIKey of 1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-phenylcyclopropane-1-carboxamide?
The InChIKey is NAVSFJRMGTUVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c24-17(16-7-4-14-27-16)22-10-12-23(13-11-22)19(26)20(8-9-20)18(25)21-15-5-2-1-3-6-15/h1-7,14H,8-13H2,(H,21,25).
What are the key properties of 1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-phenylcyclopropane-1-carboxamide?
1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-phenylcyclopropane-1-carboxamide has a molecular weight of 367.40 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 108978891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).