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

C19H27N3O3 — CID 26516182

IUPAC(2S)-N-benzyl-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
SMILESC[C@@H](C(=O)NCc1ccccc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C19H27N3O3/c1-15(18(23)20-14-16-6-3-2-4-7-16)21-9-11-22(12-10-21)19(24)17-8-5-13-25-17/h2-4,6-7,15,17H,5,8-14H2,1H3,(H,20,23)/t15-,17-/m0/s1
InChIKeyOHZVFRKVQPOXHX-RDJZCZTQSA-N
MW345.44 g/mol
LogP1.01
Rot. Bonds5

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

(2S)-N-benzyl-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide (PubChem CID 26516182) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (2S)-N-benzyl-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
PubChem CID26516182
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(2S)-N-benzyl-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
SMILESC[C@@H](C(=O)NCc1ccccc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C19H27N3O3/c1-15(18(23)20-14-16-6-3-2-4-7-16)21-9-11-22(12-10-21)19(24)17-8-5-13-25-17/h2-4,6-7,15,17H,5,8-14H2,1H3,(H,20,23)/t15-,17-/m0/s1
InChIKeyOHZVFRKVQPOXHX-RDJZCZTQSA-N
XLogP1.01
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-benzyl-2-[4-[(2S)-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
oxolan-2-yl-[4-(1-phenylpropan-2-yl)piperazin-1-yl]methanone
CID 110399555
(2S)-N-(2-methylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
CID 92513883
(2S)-N-(4-ethylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
CID 51544326
N-[(4-methylphenyl)methyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 43053198
N-benzyl-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92637454
(4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 40606305
benzyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate
CID 85064014
1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 110797536
N-(2-methyl-1-phenylpropyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 86914120
(2R)-N-benzyl-2-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]propanamide
CID 97064355
N-(2-benzylphenyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 51944792

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-benzyl-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide (CID 26516182) is (2S)-N-benzyl-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-benzyl-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-benzyl-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide is C[C@@H](C(=O)NCc1ccccc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1.
What is the InChIKey of (2S)-N-benzyl-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide?
The InChIKey is OHZVFRKVQPOXHX-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-15(18(23)20-14-16-6-3-2-4-7-16)21-9-11-22(12-10-21)19(24)17-8-5-13-25-17/h2-4,6-7,15,17H,5,8-14H2,1H3,(H,20,23)/t15-,17-/m0/s1.
What are the key properties of (2S)-N-benzyl-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide?
(2S)-N-benzyl-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide has a molecular weight of 345.44 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 26516182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).