2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide

C25H31N3O3 — CID 40642009

IUPAC2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)CN1CCN(C(=O)[C@@H]2CCCO2)CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H31N3O3/c1-19(20-9-11-22(12-10-20)21-6-3-2-4-7-21)26-24(29)18-27-13-15-28(16-14-27)25(30)23-8-5-17-31-23/h2-4,6-7,9-12,19,23H,5,8,13-18H2,1H3,(H,26,29)/t19-,23-/m0/s1
InChIKeyYZMHXGMIJXNMPH-CVDCTZTESA-N
MW421.54 g/mol
LogP2.85
Rot. Bonds6

About 2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide

2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide (PubChem CID 40642009) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide
PubChem CID40642009
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)CN1CCN(C(=O)[C@@H]2CCCO2)CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H31N3O3/c1-19(20-9-11-22(12-10-20)21-6-3-2-4-7-21)26-24(29)18-27-13-15-28(16-14-27)25(30)23-8-5-17-31-23/h2-4,6-7,9-12,19,23H,5,8,13-18H2,1H3,(H,26,29)/t19-,23-/m0/s1
InChIKeyYZMHXGMIJXNMPH-CVDCTZTESA-N
XLogP2.85
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 40813283
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide
CID 40895557
oxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone
CID 4782471
N-(2-methyl-1-phenylpropyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 86914120
N-(3-acetylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 22197270
[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 2077821
2-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]benzamide
CID 22197271
oxolan-2-yl-[4-(1-phenylpropan-2-yl)piperazin-1-yl]methanone
CID 110399555
N-butyl-2-[4-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 30653763
N-butyl-2-[4-[2-oxo-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 30653757
2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 43012139
4-(oxolane-2-carbonyl)-N-(2-phenylbutyl)piperazine-1-carboxamide
CID 86914075

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide (CID 40642009) is 2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide is C[C@H](NC(=O)CN1CCN(C(=O)[C@@H]2CCCO2)CC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide?
The InChIKey is YZMHXGMIJXNMPH-CVDCTZTESA-N. The full InChI is InChI=1S/C25H31N3O3/c1-19(20-9-11-22(12-10-20)21-6-3-2-4-7-21)26-24(29)18-27-13-15-28(16-14-27)25(30)23-8-5-17-31-23/h2-4,6-7,9-12,19,23H,5,8,13-18H2,1H3,(H,26,29)/t19-,23-/m0/s1.
What are the key properties of 2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide?
2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide has a molecular weight of 421.54 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide is sourced from PubChem (CID 40642009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).