1-[(3S)-4-acetyl-3-phenylpiperazin-1-yl]-3-morpholin-4-ylpropan-1-one

C19H27N3O3 — CID 125002392

IUPAC1-[(3S)-4-acetyl-3-phenylpiperazin-1-yl]-3-morpholin-4-ylpropan-1-one
SMILESCC(=O)N1CCN(C(=O)CCN2CCOCC2)C[C@@H]1c1ccccc1
InChIInChI=1S/C19H27N3O3/c1-16(23)22-10-9-21(15-18(22)17-5-3-2-4-6-17)19(24)7-8-20-11-13-25-14-12-20/h2-6,18H,7-15H2,1H3/t18-/m1/s1
InChIKeySKACMGOMICELPN-GOSISDBHSA-N
MW345.44 g/mol
LogP1.14
Rot. Bonds4

About 1-[(3S)-4-acetyl-3-phenylpiperazin-1-yl]-3-morpholin-4-ylpropan-1-one

1-[(3S)-4-acetyl-3-phenylpiperazin-1-yl]-3-morpholin-4-ylpropan-1-one (PubChem CID 125002392) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-[(3S)-4-acetyl-3-phenylpiperazin-1-yl]-3-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[(3S)-4-acetyl-3-phenylpiperazin-1-yl]-3-morpholin-4-ylpropan-1-one
PubChem CID125002392
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-[(3S)-4-acetyl-3-phenylpiperazin-1-yl]-3-morpholin-4-ylpropan-1-one
SMILESCC(=O)N1CCN(C(=O)CCN2CCOCC2)C[C@@H]1c1ccccc1
InChIInChI=1S/C19H27N3O3/c1-16(23)22-10-9-21(15-18(22)17-5-3-2-4-6-17)19(24)7-8-20-11-13-25-14-12-20/h2-6,18H,7-15H2,1H3/t18-/m1/s1
InChIKeySKACMGOMICELPN-GOSISDBHSA-N
XLogP1.14
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-4-[3-(2-morpholin-4-ylethoxy)benzoyl]-2-phenylpiperazin-1-yl]ethanone
CID 129454849
1-[(3S)-4-(oxane-4-carbonyl)-3-phenylpiperazin-1-yl]ethanone
CID 124947252
1-[(2S)-2-(4-methoxyphenyl)-4-[2-(2-morpholin-4-ylethoxy)benzoyl]piperazin-1-yl]ethanone
CID 129455963
1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 124963523
1-[(3S)-4-acetyl-3-phenylpiperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 125004464
1-[(2S)-4-acetyl-2-phenylpiperazin-1-yl]-3-methoxypropan-1-one
CID 125013501
1-[(2S)-4-(1-methylpiperidine-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone
CID 124972769
3-[(3S)-1-(3-morpholin-4-ylpropanoyl)piperidin-3-yl]benzoic acid
CID 97205647
1-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-3-morpholin-4-ylpropan-1-one
CID 97189725
4-(3-morpholin-4-ylpropanoyl)-N-phenylpiperazine-1-carboxamide
CID 110422657
1-[4-(2-methylbenzoyl)-2-phenylpiperazin-1-yl]ethanone
CID 110109594
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-morpholin-4-ylpropan-1-one
CID 110688426

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-4-acetyl-3-phenylpiperazin-1-yl]-3-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-[(3S)-4-acetyl-3-phenylpiperazin-1-yl]-3-morpholin-4-ylpropan-1-one (CID 125002392) is 1-[(3S)-4-acetyl-3-phenylpiperazin-1-yl]-3-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-[(3S)-4-acetyl-3-phenylpiperazin-1-yl]-3-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-[(3S)-4-acetyl-3-phenylpiperazin-1-yl]-3-morpholin-4-ylpropan-1-one is CC(=O)N1CCN(C(=O)CCN2CCOCC2)C[C@@H]1c1ccccc1.
What is the InChIKey of 1-[(3S)-4-acetyl-3-phenylpiperazin-1-yl]-3-morpholin-4-ylpropan-1-one?
The InChIKey is SKACMGOMICELPN-GOSISDBHSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-16(23)22-10-9-21(15-18(22)17-5-3-2-4-6-17)19(24)7-8-20-11-13-25-14-12-20/h2-6,18H,7-15H2,1H3/t18-/m1/s1.
What are the key properties of 1-[(3S)-4-acetyl-3-phenylpiperazin-1-yl]-3-morpholin-4-ylpropan-1-one?
1-[(3S)-4-acetyl-3-phenylpiperazin-1-yl]-3-morpholin-4-ylpropan-1-one has a molecular weight of 345.44 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-4-acetyl-3-phenylpiperazin-1-yl]-3-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 125002392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).