N-[3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]acetamide

C18H23N3O4 — CID 55347361

IUPACN-[3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)c1
InChIInChI=1S/C18H23N3O4/c1-13(22)19-15-5-2-4-14(12-15)17(23)20-7-9-21(10-8-20)18(24)16-6-3-11-25-16/h2,4-5,12,16H,3,6-11H2,1H3,(H,19,22)
InChIKeyYCJDZQMPSDTDJG-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.11
Rot. Bonds3

About N-[3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]acetamide

N-[3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]acetamide (PubChem CID 55347361) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]acetamide
PubChem CID55347361
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-[3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)c1
InChIInChI=1S/C18H23N3O4/c1-13(22)19-15-5-2-4-14(12-15)17(23)20-7-9-21(10-8-20)18(24)16-6-3-11-25-16/h2,4-5,12,16H,3,6-11H2,1H3,(H,19,22)
InChIKeyYCJDZQMPSDTDJG-UHFFFAOYSA-N
XLogP1.11
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 22197270
N-[3-[4-(3-methylbenzoyl)-1,4-diazepane-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 42949468
[4-(3-hydroxybenzoyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 108547614
(2R)-N-[3-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 95775139
4-(3-acetamidobenzoyl)-N-cyclopentylpiperazine-1-carboxamide
CID 110812202
N-[3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 43074897
N-[3-(piperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 119403640
[(2S)-oxolan-2-yl]-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone
CID 7346665
N-[3-[[[N-methyl-C-[4-(oxolane-2-carbonyl)piperazin-1-yl]carbonimidoyl]amino]methyl]phenyl]acetamide;hydroiodide
CID 111302626
N-[3-(piperazine-1-carbonyl)phenyl]oxolane-2-carboxamide;hydrochloride
CID 119403639
N-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]phenyl]acetamide
CID 113078283
N-[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 45179359

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]acetamide (CID 55347361) is N-[3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]acetamide is CC(=O)Nc1cccc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)c1.
What is the InChIKey of N-[3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]acetamide?
The InChIKey is YCJDZQMPSDTDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-13(22)19-15-5-2-4-14(12-15)17(23)20-7-9-21(10-8-20)18(24)16-6-3-11-25-16/h2,4-5,12,16H,3,6-11H2,1H3,(H,19,22).
What are the key properties of N-[3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]acetamide?
N-[3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]acetamide has a molecular weight of 345.40 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 55347361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).