[4-[2-(benzylamino)-2-phenylethyl]piperazin-1-yl]-(oxolan-2-yl)methanone

C24H31N3O2 — CID 51000649

IUPAC[4-[2-(benzylamino)-2-phenylethyl]piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(CC(NCc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H31N3O2/c28-24(23-12-7-17-29-23)27-15-13-26(14-16-27)19-22(21-10-5-2-6-11-21)25-18-20-8-3-1-4-9-20/h1-6,8-11,22-23,25H,7,12-19H2
InChIKeyMUXRVMAFBSHERF-UHFFFAOYSA-N
MW393.53 g/mol
LogP2.84
Rot. Bonds7

About [4-[2-(benzylamino)-2-phenylethyl]piperazin-1-yl]-(oxolan-2-yl)methanone

[4-[2-(benzylamino)-2-phenylethyl]piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 51000649) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is [4-[2-(benzylamino)-2-phenylethyl]piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-[2-(benzylamino)-2-phenylethyl]piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID51000649
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name[4-[2-(benzylamino)-2-phenylethyl]piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(CC(NCc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H31N3O2/c28-24(23-12-7-17-29-23)27-15-13-26(14-16-27)19-22(21-10-5-2-6-11-21)25-18-20-8-3-1-4-9-20/h1-6,8-11,22-23,25H,7,12-19H2
InChIKeyMUXRVMAFBSHERF-UHFFFAOYSA-N
XLogP2.84
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-phenylpropyl)oxolane-2-carboxamide
CID 6467126
(4-Benzhydrylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 3860526
N-cyclohexyl-2-morpholin-4-yl-2-phenylacetamide
CID 3240341
N-(1-morpholin-4-yl-1-phenylpropan-2-yl)-2-phenylacetamide
CID 3500492
N-(oxolan-2-ylmethyl)-N'-(1-phenylethyl)oxamide
CID 2883263
N-[1-(4-ethylphenyl)ethyl]tetrahydro-2-furancarboxamide
CID 6464227
N-[1-(4-butan-2-ylphenyl)propyl]oxolane-2-carboxamide
CID 6464301
N-benzhydryl-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16301868
N-benzhydryl-2-morpholin-4-ylpropanamide
CID 16330511
N-(1-phenylethyl)tetrahydro-2-furancarboxamide
CID 2931490
N-(1,2,3,4-tetrahydro-1-naphthalenyl)tetrahydro-2-furancarboxamide
CID 2970727
N-(3-phenylpropyl)oxolane-2-carboxamide
CID 4108536

Frequently Asked Questions

What is the IUPAC name of [4-[2-(benzylamino)-2-phenylethyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-[2-(benzylamino)-2-phenylethyl]piperazin-1-yl]-(oxolan-2-yl)methanone (CID 51000649) is [4-[2-(benzylamino)-2-phenylethyl]piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-[2-(benzylamino)-2-phenylethyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-[2-(benzylamino)-2-phenylethyl]piperazin-1-yl]-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCN(CC(NCc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of [4-[2-(benzylamino)-2-phenylethyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is MUXRVMAFBSHERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c28-24(23-12-7-17-29-23)27-15-13-26(14-16-27)19-22(21-10-5-2-6-11-21)25-18-20-8-3-1-4-9-20/h1-6,8-11,22-23,25H,7,12-19H2.
What are the key properties of [4-[2-(benzylamino)-2-phenylethyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-[2-(benzylamino)-2-phenylethyl]piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 393.53 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(benzylamino)-2-phenylethyl]piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 51000649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).