N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenyloxane-3-carboxamide

C19H27N3O3 — CID 119454627

IUPACN-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenyloxane-3-carboxamide
SMILESCN(CC(=O)N1CCNCC1)C(=O)C1CCCOC1c1ccccc1
InChIInChI=1S/C19H27N3O3/c1-21(14-17(23)22-11-9-20-10-12-22)19(24)16-8-5-13-25-18(16)15-6-3-2-4-7-15/h2-4,6-7,16,18,20H,5,8-14H2,1H3
InChIKeyUNBPJEDSIZKDDE-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.04
Rot. Bonds4

About N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenyloxane-3-carboxamide

N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenyloxane-3-carboxamide (PubChem CID 119454627) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenyloxane-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenyloxane-3-carboxamide
PubChem CID119454627
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenyloxane-3-carboxamide
SMILESCN(CC(=O)N1CCNCC1)C(=O)C1CCCOC1c1ccccc1
InChIInChI=1S/C19H27N3O3/c1-21(14-17(23)22-11-9-20-10-12-22)19(24)16-8-5-13-25-18(16)15-6-3-2-4-7-15/h2-4,6-7,16,18,20H,5,8-14H2,1H3
InChIKeyUNBPJEDSIZKDDE-UHFFFAOYSA-N
XLogP1.04
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-phenyloxan-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119401034
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxolane-2-carboxamide;hydrochloride
CID 119260081
3-[methyl-(2-phenyloxane-3-carbonyl)amino]propanoic acid
CID 60989897
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxane-2-carboxamide
CID 62214583
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenyloxane-3-carboxamide
CID 119653593
2-[ethyl-[(2S,3R)-2-phenyloxane-3-carbonyl]amino]acetic acid
CID 93433880
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)cyclohexanecarboxamide
CID 43603207
(4-methylpiperazin-1-yl)-(2-phenyloxan-3-yl)methanone
CID 56816540
[2-(4-methylphenyl)oxan-3-yl]-(3-methylpiperazin-1-yl)methanone
CID 119577255
1-benzoyl-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carboxamide
CID 136528098
1-[(2S,3S)-2-phenyloxane-3-carbonyl]-1,4-diazepan-5-one
CID 95589815
N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylpropanamide
CID 119454636

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenyloxane-3-carboxamide?
The IUPAC name of N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenyloxane-3-carboxamide (CID 119454627) is N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenyloxane-3-carboxamide.
What is the SMILES notation for N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenyloxane-3-carboxamide?
The canonical SMILES for N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenyloxane-3-carboxamide is CN(CC(=O)N1CCNCC1)C(=O)C1CCCOC1c1ccccc1.
What is the InChIKey of N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenyloxane-3-carboxamide?
The InChIKey is UNBPJEDSIZKDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-21(14-17(23)22-11-9-20-10-12-22)19(24)16-8-5-13-25-18(16)15-6-3-2-4-7-15/h2-4,6-7,16,18,20H,5,8-14H2,1H3.
What are the key properties of N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenyloxane-3-carboxamide?
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenyloxane-3-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenyloxane-3-carboxamide is sourced from PubChem (CID 119454627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).