N-(2-benzylphenyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide

C23H27N3O3 — CID 51944792

IUPACN-(2-benzylphenyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1Cc1ccccc1)N1CCN(C(=O)[C@H]2CCCO2)CC1
InChIInChI=1S/C23H27N3O3/c27-22(21-11-6-16-29-21)25-12-14-26(15-13-25)23(28)24-20-10-5-4-9-19(20)17-18-7-2-1-3-8-18/h1-5,7-10,21H,6,11-17H2,(H,24,28)/t21-/m1/s1
InChIKeyJXCPRLGQZZMCLQ-OAQYLSRUSA-N
MW393.49 g/mol
LogP3.13
Rot. Bonds4

About N-(2-benzylphenyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide

N-(2-benzylphenyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide (PubChem CID 51944792) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-(2-benzylphenyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide
PubChem CID51944792
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-(2-benzylphenyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1Cc1ccccc1)N1CCN(C(=O)[C@H]2CCCO2)CC1
InChIInChI=1S/C23H27N3O3/c27-22(21-11-6-16-29-21)25-12-14-26(15-13-25)23(28)24-20-10-5-4-9-19(20)17-18-7-2-1-3-8-18/h1-5,7-10,21H,6,11-17H2,(H,24,28)/t21-/m1/s1
InChIKeyJXCPRLGQZZMCLQ-OAQYLSRUSA-N
XLogP3.13
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphthalen-1-yl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 2979685
N-(2-chlorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 17297614
1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 110797536
(4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 40606305
(2S)-N-(2-benzylphenyl)-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide
CID 95786679
N-[2-(2,3-dihydroindol-1-yl)phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 47033961
(4aS,8aR)-N-(2-benzylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 95284375
N-[4-[benzyl(methyl)amino]phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 60543369
N-(2-benzylphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111113013
benzyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate
CID 85064014
butyl 2-[[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]amino]benzoate
CID 3757261
(2S)-N-benzyl-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
CID 26516182

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide?
The IUPAC name of N-(2-benzylphenyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide (CID 51944792) is N-(2-benzylphenyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-benzylphenyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-benzylphenyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide is O=C(Nc1ccccc1Cc1ccccc1)N1CCN(C(=O)[C@H]2CCCO2)CC1.
What is the InChIKey of N-(2-benzylphenyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide?
The InChIKey is JXCPRLGQZZMCLQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H27N3O3/c27-22(21-11-6-16-29-21)25-12-14-26(15-13-25)23(28)24-20-10-5-4-9-19(20)17-18-7-2-1-3-8-18/h1-5,7-10,21H,6,11-17H2,(H,24,28)/t21-/m1/s1.
What are the key properties of N-(2-benzylphenyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide?
N-(2-benzylphenyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide is sourced from PubChem (CID 51944792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).