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

C20H29N3O3 — CID 51544326

IUPAC(2S)-N-(4-ethylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
SMILESCCc1ccc(NC(=O)[C@H](C)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1
InChIInChI=1S/C20H29N3O3/c1-3-16-6-8-17(9-7-16)21-19(24)15(2)22-10-12-23(13-11-22)20(25)18-5-4-14-26-18/h6-9,15,18H,3-5,10-14H2,1-2H3,(H,21,24)/t15-,18+/m0/s1
InChIKeyIQEVNGDECORWTC-MAUKXSAKSA-N
MW359.47 g/mol
LogP1.90
Rot. Bonds5

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

(2S)-N-(4-ethylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide (PubChem CID 51544326) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is (2S)-N-(4-ethylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(4-ethylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
PubChem CID51544326
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name(2S)-N-(4-ethylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
SMILESCCc1ccc(NC(=O)[C@H](C)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1
InChIInChI=1S/C20H29N3O3/c1-3-16-6-8-17(9-7-16)21-19(24)15(2)22-10-12-23(13-11-22)20(25)18-5-4-14-26-18/h6-9,15,18H,3-5,10-14H2,1-2H3,(H,21,24)/t15-,18+/m0/s1
InChIKeyIQEVNGDECORWTC-MAUKXSAKSA-N
XLogP1.90
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-(4-ethylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide with MolForge

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Related Compounds

methyl 4-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanoylamino]methyl]benzoate
CID 55486707
(2S)-2-[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-N-(4-ethylphenyl)propanamide
CID 9357159
(2S)-N-benzyl-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
CID 26516182
(2S)-N-(2-methylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
CID 92513883
N-[4-[[[ethylamino-[4-(oxolane-2-carbonyl)piperazin-1-yl]methylidene]amino]methyl]phenyl]-2-methylpropanamide;hydroiodide
CID 111301702
3-(4-ethylphenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
CID 110366006
N-(4-ethylphenyl)-2-(2-methylmorpholin-4-yl)propanamide
CID 46527680
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanamide
CID 55591159
oxolan-2-yl-[4-(1-phenylpropan-2-yl)piperazin-1-yl]methanone
CID 110399555
N-(4-ethylphenyl)-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)propanamide
CID 126812624
N-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]phenyl]acetamide
CID 113078283
4-ethyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 108566010

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-ethylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-(4-ethylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide (CID 51544326) is (2S)-N-(4-ethylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(4-ethylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(4-ethylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide is CCc1ccc(NC(=O)[C@H](C)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1.
What is the InChIKey of (2S)-N-(4-ethylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide?
The InChIKey is IQEVNGDECORWTC-MAUKXSAKSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-3-16-6-8-17(9-7-16)21-19(24)15(2)22-10-12-23(13-11-22)20(25)18-5-4-14-26-18/h6-9,15,18H,3-5,10-14H2,1-2H3,(H,21,24)/t15-,18+/m0/s1.
What are the key properties of (2S)-N-(4-ethylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide?
(2S)-N-(4-ethylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide has a molecular weight of 359.47 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-ethylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 51544326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).