(3S)-4-[(2S)-2-[[(2S)-oxan-2-yl]methoxy]propanoyl]-3-phenylpiperazin-2-one

C19H26N2O4 — CID 124628523

IUPAC(3S)-4-[(2S)-2-[[(2S)-oxan-2-yl]methoxy]propanoyl]-3-phenylpiperazin-2-one
SMILESC[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCNC(=O)[C@@H]1c1ccccc1
InChIInChI=1S/C19H26N2O4/c1-14(25-13-16-9-5-6-12-24-16)19(23)21-11-10-20-18(22)17(21)15-7-3-2-4-8-15/h2-4,7-8,14,16-17H,5-6,9-13H2,1H3,(H,20,22)/t14-,16-,17-/m0/s1
InChIKeyIZCPUIDQEHPYBR-XIRDDKMYSA-N
MW346.43 g/mol
LogP1.66
Rot. Bonds5

About (3S)-4-[(2S)-2-[[(2S)-oxan-2-yl]methoxy]propanoyl]-3-phenylpiperazin-2-one

(3S)-4-[(2S)-2-[[(2S)-oxan-2-yl]methoxy]propanoyl]-3-phenylpiperazin-2-one (PubChem CID 124628523) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is (3S)-4-[(2S)-2-[[(2S)-oxan-2-yl]methoxy]propanoyl]-3-phenylpiperazin-2-one.

Molecular Properties

Compound Name(3S)-4-[(2S)-2-[[(2S)-oxan-2-yl]methoxy]propanoyl]-3-phenylpiperazin-2-one
PubChem CID124628523
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name(3S)-4-[(2S)-2-[[(2S)-oxan-2-yl]methoxy]propanoyl]-3-phenylpiperazin-2-one
SMILESC[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCNC(=O)[C@@H]1c1ccccc1
InChIInChI=1S/C19H26N2O4/c1-14(25-13-16-9-5-6-12-24-16)19(23)21-11-10-20-18(22)17(21)15-7-3-2-4-8-15/h2-4,7-8,14,16-17H,5-6,9-13H2,1H3,(H,20,22)/t14-,16-,17-/m0/s1
InChIKeyIZCPUIDQEHPYBR-XIRDDKMYSA-N
XLogP1.66
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-4-[(2S)-2-[[(2S)-oxan-2-yl]methoxy]propanoyl]-3-phenylpiperazin-2-one with MolForge

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Related Compounds

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CID 162654297
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N-(1-morpholin-4-yl-1-phenylpropan-2-yl)-2-phenylacetamide
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(2S)-6-amino-2-(benzylamino)-N-[2,3-di(tetradecoxy)propyl]hexanamide;hydrochloride
CID 164613424
(2R)-6-amino-2-(benzylamino)-N-[2,3-di(tetradecoxy)propyl]hexanamide;hydrochloride
CID 164620097
2-(2,6-dimethylmorpholin-4-yl)-N-(1-phenylethyl)acetamide
CID 6469831
N-benzhydryl-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16301868
N-benzyl-4-methyl-2-morpholin-4-ylpent-4-enamide
CID 4262960
N-(3-ethoxypropyl)-2-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 4644536
N-benzyl-2-(4-fluorophenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 53384012
N-cyclohexyl-2-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 3238618
2-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]-2-phenylpropanamide
CID 73212590

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[(2S)-2-[[(2S)-oxan-2-yl]methoxy]propanoyl]-3-phenylpiperazin-2-one?
The IUPAC name of (3S)-4-[(2S)-2-[[(2S)-oxan-2-yl]methoxy]propanoyl]-3-phenylpiperazin-2-one (CID 124628523) is (3S)-4-[(2S)-2-[[(2S)-oxan-2-yl]methoxy]propanoyl]-3-phenylpiperazin-2-one.
What is the SMILES notation for (3S)-4-[(2S)-2-[[(2S)-oxan-2-yl]methoxy]propanoyl]-3-phenylpiperazin-2-one?
The canonical SMILES for (3S)-4-[(2S)-2-[[(2S)-oxan-2-yl]methoxy]propanoyl]-3-phenylpiperazin-2-one is C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCNC(=O)[C@@H]1c1ccccc1.
What is the InChIKey of (3S)-4-[(2S)-2-[[(2S)-oxan-2-yl]methoxy]propanoyl]-3-phenylpiperazin-2-one?
The InChIKey is IZCPUIDQEHPYBR-XIRDDKMYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-14(25-13-16-9-5-6-12-24-16)19(23)21-11-10-20-18(22)17(21)15-7-3-2-4-8-15/h2-4,7-8,14,16-17H,5-6,9-13H2,1H3,(H,20,22)/t14-,16-,17-/m0/s1.
What are the key properties of (3S)-4-[(2S)-2-[[(2S)-oxan-2-yl]methoxy]propanoyl]-3-phenylpiperazin-2-one?
(3S)-4-[(2S)-2-[[(2S)-oxan-2-yl]methoxy]propanoyl]-3-phenylpiperazin-2-one has a molecular weight of 346.43 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[(2S)-2-[[(2S)-oxan-2-yl]methoxy]propanoyl]-3-phenylpiperazin-2-one is sourced from PubChem (CID 124628523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).