1-[(3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-4-phenylpiperazine

C24H31N3O — CID 92641150

IUPAC1-[(3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-4-phenylpiperazine
SMILESc1ccc(N2CCN([C@H]3CCCN(Cc4ccc5c(c4)CCO5)C3)CC2)cc1
InChIInChI=1S/C24H31N3O/c1-2-5-22(6-3-1)26-12-14-27(15-13-26)23-7-4-11-25(19-23)18-20-8-9-24-21(17-20)10-16-28-24/h1-3,5-6,8-9,17,23H,4,7,10-16,18-19H2/t23-/m0/s1
InChIKeyABSGIMMRKBUYFI-QHCPKHFHSA-N
MW377.53 g/mol
LogP3.41
Rot. Bonds4

About 1-[(3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-4-phenylpiperazine

1-[(3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-4-phenylpiperazine (PubChem CID 92641150) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is 1-[(3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-4-phenylpiperazine
PubChem CID92641150
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name1-[(3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-4-phenylpiperazine
SMILESc1ccc(N2CCN([C@H]3CCCN(Cc4ccc5c(c4)CCO5)C3)CC2)cc1
InChIInChI=1S/C24H31N3O/c1-2-5-22(6-3-1)26-12-14-27(15-13-26)23-7-4-11-25(19-23)18-20-8-9-24-21(17-20)10-16-28-24/h1-3,5-6,8-9,17,23H,4,7,10-16,18-19H2/t23-/m0/s1
InChIKeyABSGIMMRKBUYFI-QHCPKHFHSA-N
XLogP3.41
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-4-phenylpiperazine 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-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-4-phenylpiperazine
CID 92671940
1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-4-(4-methoxyphenyl)piperazine
CID 45236118
1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-4-(2-fluorophenyl)piperazine
CID 45199577
N-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63240821
4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenylmorpholine
CID 131900950
1-phenyl-4-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]piperazine
CID 51636134
[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-pyridin-2-ylmethanone
CID 131945300
4-chloro-N,N-dimethyl-5-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 30723281
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-amine
CID 65244917
3-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 56715718
2-methyl-3-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]quinoxaline
CID 56703574
[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915626

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-4-phenylpiperazine?
The IUPAC name of 1-[(3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-4-phenylpiperazine (CID 92641150) is 1-[(3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-4-phenylpiperazine?
The canonical SMILES for 1-[(3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-4-phenylpiperazine is c1ccc(N2CCN([C@H]3CCCN(Cc4ccc5c(c4)CCO5)C3)CC2)cc1.
What is the InChIKey of 1-[(3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-4-phenylpiperazine?
The InChIKey is ABSGIMMRKBUYFI-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H31N3O/c1-2-5-22(6-3-1)26-12-14-27(15-13-26)23-7-4-11-25(19-23)18-20-8-9-24-21(17-20)10-16-28-24/h1-3,5-6,8-9,17,23H,4,7,10-16,18-19H2/t23-/m0/s1.
What are the key properties of 1-[(3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-4-phenylpiperazine?
1-[(3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-4-phenylpiperazine has a molecular weight of 377.53 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-4-phenylpiperazine is sourced from PubChem (CID 92641150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).