(2S)-N-(2-methylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide

C19H27N3O3 — CID 92513883

IUPAC(2S)-N-(2-methylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
SMILESCc1ccccc1NC(=O)[C@H](C)N1CCN(C(=O)[C@H]2CCCO2)CC1
InChIInChI=1S/C19H27N3O3/c1-14-6-3-4-7-16(14)20-18(23)15(2)21-9-11-22(12-10-21)19(24)17-8-5-13-25-17/h3-4,6-7,15,17H,5,8-13H2,1-2H3,(H,20,23)/t15-,17+/m0/s1
InChIKeyKQTNZYFIQSEYFE-DOTOQJQBSA-N
MW345.44 g/mol
LogP1.65
Rot. Bonds4

About (2S)-N-(2-methylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide

(2S)-N-(2-methylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide (PubChem CID 92513883) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (2S)-N-(2-methylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-methylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
PubChem CID92513883
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(2S)-N-(2-methylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
SMILESCc1ccccc1NC(=O)[C@H](C)N1CCN(C(=O)[C@H]2CCCO2)CC1
InChIInChI=1S/C19H27N3O3/c1-14-6-3-4-7-16(14)20-18(23)15(2)21-9-11-22(12-10-21)19(24)17-8-5-13-25-17/h3-4,6-7,15,17H,5,8-13H2,1-2H3,(H,20,23)/t15-,17+/m0/s1
InChIKeyKQTNZYFIQSEYFE-DOTOQJQBSA-N
XLogP1.65
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-(2-methylphenyl)propanamide
CID 51167865
(2S)-N-benzyl-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
CID 26516182
(2S)-N-(4-ethylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
CID 51544326
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanamide
CID 55591159
[4-(2-methylphenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 27233042
oxolan-2-yl-[4-(1-phenylpropan-2-yl)piperazin-1-yl]methanone
CID 110399555
N-(2,6-dimethylphenyl)-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbothioamide
CID 27057320
N-(2-benzylphenyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 51944792
N-(2-chlorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 17297614
methyl 4-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanoylamino]methyl]benzoate
CID 55486707
(2R)-N-(2-methylphenyl)-2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propanamide
CID 129397528
(2R)-N-(2-fluorophenyl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]propanamide
CID 9322199

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-(2-methylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide (CID 92513883) is (2S)-N-(2-methylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(2-methylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(2-methylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide is Cc1ccccc1NC(=O)[C@H](C)N1CCN(C(=O)[C@H]2CCCO2)CC1.
What is the InChIKey of (2S)-N-(2-methylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide?
The InChIKey is KQTNZYFIQSEYFE-DOTOQJQBSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14-6-3-4-7-16(14)20-18(23)15(2)21-9-11-22(12-10-21)19(24)17-8-5-13-25-17/h3-4,6-7,15,17H,5,8-13H2,1-2H3,(H,20,23)/t15-,17+/m0/s1.
What are the key properties of (2S)-N-(2-methylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide?
(2S)-N-(2-methylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide has a molecular weight of 345.44 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 92513883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).