(E)-N-[3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-3-(furan-2-yl)prop-2-enamide

C22H24N4O3 — CID 39567549

IUPAC(E)-N-[3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCCC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C22H24N4O3/c27-20(8-7-17-4-3-15-29-17)23-12-9-21(28)26-13-10-16(11-14-26)22-24-18-5-1-2-6-19(18)25-22/h1-8,15-16H,9-14H2,(H,23,27)(H,24,25)/b8-7+
InChIKeyFSGBMMSLGZKAJQ-BQYQJAHWSA-N
MW392.46 g/mol
LogP3.08
Rot. Bonds6

About (E)-N-[3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-3-(furan-2-yl)prop-2-enamide

(E)-N-[3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 39567549) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is (E)-N-[3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID39567549
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name(E)-N-[3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCCC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C22H24N4O3/c27-20(8-7-17-4-3-15-29-17)23-12-9-21(28)26-13-10-16(11-14-26)22-24-18-5-1-2-6-19(18)25-22/h1-8,15-16H,9-14H2,(H,23,27)(H,24,25)/b8-7+
InChIKeyFSGBMMSLGZKAJQ-BQYQJAHWSA-N
XLogP3.08
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-[3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-3-(furan-2-yl)prop-2-enamide 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

(E)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 35348217
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-cyclopentylpropan-1-one
CID 33117135
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 35348246
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]octadecan-1-one
CID 108739547
3-(4-fluorophenyl)-3-[1-[3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanoyl]piperidin-4-yl]propanoic acid
CID 91641497
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-[(2S)-oxolan-2-yl]propan-1-one
CID 94093377
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-naphthalen-2-ylpropan-1-one
CID 60523367
(E)-N-[3-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-3-(furan-2-yl)prop-2-enamide
CID 55616245
(E)-N-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]-3-(furan-2-yl)prop-2-enamide
CID 39471393
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone
CID 142409937
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylsulfanylethanone
CID 35348941
2-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 35348582

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-3-(furan-2-yl)prop-2-enamide (CID 39567549) is (E)-N-[3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-3-(furan-2-yl)prop-2-enamide is O=C(/C=C/c1ccco1)NCCC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of (E)-N-[3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is FSGBMMSLGZKAJQ-BQYQJAHWSA-N. The full InChI is InChI=1S/C22H24N4O3/c27-20(8-7-17-4-3-15-29-17)23-12-9-21(28)26-13-10-16(11-14-26)22-24-18-5-1-2-6-19(18)25-22/h1-8,15-16H,9-14H2,(H,23,27)(H,24,25)/b8-7+.
What are the key properties of (E)-N-[3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-3-(furan-2-yl)prop-2-enamide?
(E)-N-[3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 392.46 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 39567549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).