3-[oxolan-3-yl(2-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one

C19H29N3O2 — CID 120982162

IUPAC3-[oxolan-3-yl(2-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCN(CCc1ccccc1)C1CCOC1)N1CCNCC1
InChIInChI=1S/C19H29N3O2/c23-19(22-13-9-20-10-14-22)7-12-21(18-8-15-24-16-18)11-6-17-4-2-1-3-5-17/h1-5,18,20H,6-16H2
InChIKeyVLARIIAHNBLWTO-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.14
Rot. Bonds7

About 3-[oxolan-3-yl(2-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one

3-[oxolan-3-yl(2-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one (PubChem CID 120982162) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-[oxolan-3-yl(2-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[oxolan-3-yl(2-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one
PubChem CID120982162
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name3-[oxolan-3-yl(2-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCN(CCc1ccccc1)C1CCOC1)N1CCNCC1
InChIInChI=1S/C19H29N3O2/c23-19(22-13-9-20-10-14-22)7-12-21(18-8-15-24-16-18)11-6-17-4-2-1-3-5-17/h1-5,18,20H,6-16H2
InChIKeyVLARIIAHNBLWTO-UHFFFAOYSA-N
XLogP1.14
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[oxolan-3-yl(2-phenylethyl)amino]acetamide
CID 71859131
3-[2-phenylethyl(prop-2-enyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981237
N-[(3R)-oxolan-3-yl]-N-(2-phenylethyl)cyclopropanecarboxamide
CID 97015367
3-[2-methylpropyl(2-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980972
N,N-bis(2-phenylethyl)piperidin-4-amine
CID 118109179
3-(3-benzylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980885
3-[(1-benzyl-2-methylpiperidin-4-yl)-methylamino]-1-piperazin-1-ylpropan-1-one
CID 120982758
N-(2-phenylethyl)-N-[(2,4,5-trichlorophenyl)methyl]oxolan-3-amine
CID 166372549
3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one
CID 120980502
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
3-[4-(2-phenylethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982352
N-benzyl-N-(3-oxo-3-piperazin-1-ylpropyl)acetamide
CID 119400405

Frequently Asked Questions

What is the IUPAC name of 3-[oxolan-3-yl(2-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-[oxolan-3-yl(2-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one (CID 120982162) is 3-[oxolan-3-yl(2-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-[oxolan-3-yl(2-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-[oxolan-3-yl(2-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one is O=C(CCN(CCc1ccccc1)C1CCOC1)N1CCNCC1.
What is the InChIKey of 3-[oxolan-3-yl(2-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one?
The InChIKey is VLARIIAHNBLWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c23-19(22-13-9-20-10-14-22)7-12-21(18-8-15-24-16-18)11-6-17-4-2-1-3-5-17/h1-5,18,20H,6-16H2.
What are the key properties of 3-[oxolan-3-yl(2-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one?
3-[oxolan-3-yl(2-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one has a molecular weight of 331.46 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[oxolan-3-yl(2-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 120982162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).