1-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one

C23H33N3O3 — CID 55882453

IUPAC1-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCC(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1
InChIInChI=1S/C23H33N3O3/c1-2-4-22(27)26-9-3-5-20(17-26)23(28)25-12-10-24(11-13-25)16-18-6-7-21-19(15-18)8-14-29-21/h6-7,15,20H,2-5,8-14,16-17H2,1H3
InChIKeyZFGZXCDXGQJWFC-UHFFFAOYSA-N
MW399.54 g/mol
LogP2.30
Rot. Bonds5

About 1-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one

1-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one (PubChem CID 55882453) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is 1-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
PubChem CID55882453
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Name1-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCC(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1
InChIInChI=1S/C23H33N3O3/c1-2-4-22(27)26-9-3-5-20(17-26)23(28)25-12-10-24(11-13-25)16-18-6-7-21-19(15-18)8-14-29-21/h6-7,15,20H,2-5,8-14,16-17H2,1H3
InChIKeyZFGZXCDXGQJWFC-UHFFFAOYSA-N
XLogP2.30
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one 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-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 110801124
1-[3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 55910800
1-[4-[[4-(cyclohexanecarbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-1-yl]ethanone
CID 26345264
[(3S)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone
CID 8968322
1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]ethanone
CID 30638446
2-[[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-methylamino]acetic acid
CID 119906302
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-2-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 110807578
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 110801709
4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 55416208
1-[(3R)-3-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 9474993
4-(1-butanoylpiperidine-3-carbonyl)morpholine-2-carboxamide
CID 49416925
2-(3,4-dihydro-2H-chromen-6-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110771158

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one (CID 55882453) is 1-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one is CCCC(=O)N1CCCC(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1.
What is the InChIKey of 1-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one?
The InChIKey is ZFGZXCDXGQJWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-2-4-22(27)26-9-3-5-20(17-26)23(28)25-12-10-24(11-13-25)16-18-6-7-21-19(15-18)8-14-29-21/h6-7,15,20H,2-5,8-14,16-17H2,1H3.
What are the key properties of 1-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one?
1-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one has a molecular weight of 399.54 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 55882453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).