N-naphthalen-1-yl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide

C20H23N3O3 — CID 2979685

IUPACN-naphthalen-1-yl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C20H23N3O3/c24-19(18-9-4-14-26-18)22-10-12-23(13-11-22)20(25)21-17-8-3-6-15-5-1-2-7-16(15)17/h1-3,5-8,18H,4,9-14H2,(H,21,25)
InChIKeyWKJARKICIABSAR-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.69
Rot. Bonds2

About N-naphthalen-1-yl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide

N-naphthalen-1-yl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide (PubChem CID 2979685) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-naphthalen-1-yl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
PubChem CID2979685
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-naphthalen-1-yl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C20H23N3O3/c24-19(18-9-4-14-26-18)22-10-12-23(13-11-22)20(25)21-17-8-3-6-15-5-1-2-7-16(15)17/h1-3,5-8,18H,4,9-14H2,(H,21,25)
InChIKeyWKJARKICIABSAR-UHFFFAOYSA-N
XLogP2.69
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 17297614
N-(2-benzylphenyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 51944792
N-[2-(2,3-dihydroindol-1-yl)phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 47033961
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 136577578
N-(2,6-dimethyl-3-pyridinyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 146091914
butyl 2-[[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]amino]benzoate
CID 3757261
methyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate
CID 108884718
4-formyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 3736870
N'-methyl-N-(2-naphthalen-1-ylethyl)-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111301891
(8aR)-N-naphthalen-1-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 757117
3-hydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 62918134
4-(oxolane-2-carbonyl)-N-[3-(2-phenylethynyl)phenyl]piperazine-1-carboxamide
CID 112825512

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-naphthalen-1-yl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide (CID 2979685) is N-naphthalen-1-yl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-naphthalen-1-yl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-naphthalen-1-yl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide is O=C(Nc1cccc2ccccc12)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of N-naphthalen-1-yl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is WKJARKICIABSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-19(18-9-4-14-26-18)22-10-12-23(13-11-22)20(25)21-17-8-3-6-15-5-1-2-7-16(15)17/h1-3,5-8,18H,4,9-14H2,(H,21,25).
What are the key properties of N-naphthalen-1-yl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
N-naphthalen-1-yl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 2979685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).