1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one

C26H30N2O3 — CID 10693347

IUPAC1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one
SMILESO=C(CCc1ccco1)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H30N2O3/c29-25(14-13-24-12-7-20-30-24)28-17-15-27(16-18-28)19-21-31-26(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-12,20,26H,13-19,21H2
InChIKeyKGNSAZWGBXAMIR-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.16
Rot. Bonds9

About 1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one

1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one (PubChem CID 10693347) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is 1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one
PubChem CID10693347
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC Name1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one
SMILESO=C(CCc1ccco1)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H30N2O3/c29-25(14-13-24-12-7-20-30-24)28-17-15-27(16-18-28)19-21-31-26(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-12,20,26H,13-19,21H2
InChIKeyKGNSAZWGBXAMIR-UHFFFAOYSA-N
XLogP4.16
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-benzhydryloxyethyl)-1,4-diazepan-1-yl]-3-phenylpropan-1-one
CID 10551204
1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-3-(furan-2-yl)propan-1-one
CID 78788998
2-[4-[3-(furan-2-yl)propanoyl]piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77012011
1-(2-benzhydryloxyethyl)-4-[3-(4-nitrophenyl)propyl]piperazine;1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-(4-nitrophenyl)propan-1-one;4-[3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl]aniline
CID 157421414
3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propanamide;hydrate;hydrochloride
CID 21152175
1-(4-benzylidenepiperidin-1-yl)-3-(furan-2-yl)propan-1-one
CID 75408323
3-[4-(2-benzhydryloxyethyl)piperidin-1-yl]-1-(furan-2-yl)propan-1-one
CID 170859253
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone
CID 1131695
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-(furan-2-yl)propan-1-one
CID 154738961
(2S)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propan-2-ol
CID 10338239
[4-(2-benzhydryloxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 10527563
3-(furan-2-yl)-1-(4-hydroxyiminopiperidin-1-yl)propan-1-one
CID 28780592

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one?
The IUPAC name of 1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one (CID 10693347) is 1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one.
What is the SMILES notation for 1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one?
The canonical SMILES for 1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one is O=C(CCc1ccco1)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one?
The InChIKey is KGNSAZWGBXAMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c29-25(14-13-24-12-7-20-30-24)28-17-15-27(16-18-28)19-21-31-26(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-12,20,26H,13-19,21H2.
What are the key properties of 1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one?
1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one has a molecular weight of 418.54 g/mol, XLogP of 4.16, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one is sourced from PubChem (CID 10693347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).