(2R)-N-[3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]oxolane-2-carboxamide

C23H27N3O3 — CID 34230461

IUPAC(2R)-N-[3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
SMILESCN1CCN(C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C23H27N3O3/c1-25-12-13-26(20(16-25)17-7-3-2-4-8-17)23(28)18-9-5-10-19(15-18)24-22(27)21-11-6-14-29-21/h2-5,7-10,15,20-21H,6,11-14,16H2,1H3,(H,24,27)/t20-,21-/m1/s1
InChIKeyHZJBUGBPVGRTHN-NHCUHLMSSA-N
MW393.49 g/mol
LogP2.93
Rot. Bonds4

About (2R)-N-[3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]oxolane-2-carboxamide

(2R)-N-[3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]oxolane-2-carboxamide (PubChem CID 34230461) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is (2R)-N-[3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
PubChem CID34230461
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name(2R)-N-[3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
SMILESCN1CCN(C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C23H27N3O3/c1-25-12-13-26(20(16-25)17-7-3-2-4-8-17)23(28)18-9-5-10-19(15-18)24-22(27)21-11-6-14-29-21/h2-5,7-10,15,20-21H,6,11-14,16H2,1H3,(H,24,27)/t20-,21-/m1/s1
InChIKeyHZJBUGBPVGRTHN-NHCUHLMSSA-N
XLogP2.93
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-4-methyl-2-phenylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 100836872
(2R)-N-[3-[(2R)-2-(3-methylphenyl)azepane-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 99808923
tert-butyl N-[[(2R)-4-methyl-1-[3-[[(2S)-oxolane-2-carbonyl]amino]benzoyl]piperazin-2-yl]methyl]carbamate
CID 96538114
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
(2R)-N-[3-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 94637367
(2R)-N-[3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 33080992
(2S)-N-[3-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholine-4-carbonyl]phenyl]oxolane-2-carboxamide
CID 100906472
(3-chlorophenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 42891355
(2R)-N-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 94149541
(2R)-N-[3-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 95775139
N-[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 45179359

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]oxolane-2-carboxamide (CID 34230461) is (2R)-N-[3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]oxolane-2-carboxamide is CN1CCN(C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)[C@@H](c2ccccc2)C1.
What is the InChIKey of (2R)-N-[3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]oxolane-2-carboxamide?
The InChIKey is HZJBUGBPVGRTHN-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-25-12-13-26(20(16-25)17-7-3-2-4-8-17)23(28)18-9-5-10-19(15-18)24-22(27)21-11-6-14-29-21/h2-5,7-10,15,20-21H,6,11-14,16H2,1H3,(H,24,27)/t20-,21-/m1/s1.
What are the key properties of (2R)-N-[3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]oxolane-2-carboxamide?
(2R)-N-[3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]oxolane-2-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 34230461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).