(4-benzhydrylpiperazin-1-yl)-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone

C29H32N2O3 — CID 33395478

IUPAC(4-benzhydrylpiperazin-1-yl)-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone
SMILESO=C(c1cccc(OC[C@H]2CCCO2)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H32N2O3/c32-29(25-13-7-14-26(21-25)34-22-27-15-8-20-33-27)31-18-16-30(17-19-31)28(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-7,9-14,21,27-28H,8,15-20,22H2/t27-/m1/s1
InChIKeyLUIHYVQPRQSQRG-HHHXNRCGSA-N
MW456.59 g/mol
LogP4.79
Rot. Bonds7

About (4-benzhydrylpiperazin-1-yl)-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone

(4-benzhydrylpiperazin-1-yl)-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone (PubChem CID 33395478) has the molecular formula C29H32N2O3 and a molecular weight of 456.59 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone
PubChem CID33395478
Molecular FormulaC29H32N2O3
Molecular Weight456.59 g/mol
Exact Mass456.24
IUPAC Name(4-benzhydrylpiperazin-1-yl)-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone
SMILESO=C(c1cccc(OC[C@H]2CCCO2)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H32N2O3/c32-29(25-13-7-14-26(21-25)34-22-27-15-8-20-33-27)31-18-16-30(17-19-31)28(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-7,9-14,21,27-28H,8,15-20,22H2/t27-/m1/s1
InChIKeyLUIHYVQPRQSQRG-HHHXNRCGSA-N
XLogP4.79
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-benzhydrylpiperazin-1-yl)-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone with MolForge

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Related Compounds

1,4-diazepan-1-yl-[3-(oxolan-2-ylmethoxy)phenyl]methanone;hydrochloride
CID 119414799
(2S)-1-[3-(oxolan-2-ylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid
CID 119365942
[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 97245326
[4-(3-aminopropoxy)piperidin-1-yl]-[3-(oxolan-2-ylmethoxy)phenyl]methanone
CID 119662009
(2R)-1-[3-[[(2S)-oxolan-2-yl]methoxy]benzoyl]piperidine-2-carboxylic acid
CID 125118825
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
2-[4-[2-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]-2-phenylacetonitrile
CID 112810509
[2-(4-fluorophenyl)morpholin-4-yl]-[3-(oxolan-2-ylmethoxy)phenyl]methanone
CID 46420143
N-[2-(dimethylamino)-2-phenylethyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 43044138
[(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 124884052
N-[3-(azepane-1-carbonyl)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828466
1-[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]ethanone
CID 78777666

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone (CID 33395478) is (4-benzhydrylpiperazin-1-yl)-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone is O=C(c1cccc(OC[C@H]2CCCO2)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone?
The InChIKey is LUIHYVQPRQSQRG-HHHXNRCGSA-N. The full InChI is InChI=1S/C29H32N2O3/c32-29(25-13-7-14-26(21-25)34-22-27-15-8-20-33-27)31-18-16-30(17-19-31)28(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-7,9-14,21,27-28H,8,15-20,22H2/t27-/m1/s1.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone?
(4-benzhydrylpiperazin-1-yl)-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone has a molecular weight of 456.59 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone is sourced from PubChem (CID 33395478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).