2-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)piperidine-1-carboxamide

C19H27N3O4 — CID 118763336

IUPAC2-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)piperidine-1-carboxamide
SMILESCOCCCC1CCCCN1C(=O)Nc1ccc2c(c1)OCC(=O)N2C
InChIInChI=1S/C19H27N3O4/c1-21-16-9-8-14(12-17(16)26-13-18(21)23)20-19(24)22-10-4-3-6-15(22)7-5-11-25-2/h8-9,12,15H,3-7,10-11,13H2,1-2H3,(H,20,24)
InChIKeyWEMRIPITGGHLFW-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.85
Rot. Bonds5

About 2-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)piperidine-1-carboxamide

2-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)piperidine-1-carboxamide (PubChem CID 118763336) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)piperidine-1-carboxamide
PubChem CID118763336
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name2-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)piperidine-1-carboxamide
SMILESCOCCCC1CCCCN1C(=O)Nc1ccc2c(c1)OCC(=O)N2C
InChIInChI=1S/C19H27N3O4/c1-21-16-9-8-14(12-17(16)26-13-18(21)23)20-19(24)22-10-4-3-6-15(22)7-5-11-25-2/h8-9,12,15H,3-7,10-11,13H2,1-2H3,(H,20,24)
InChIKeyWEMRIPITGGHLFW-UHFFFAOYSA-N
XLogP2.85
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)piperidine-1-carboxamide
CID 125435903
2-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrrolidine-1-carboxamide
CID 143615273
(2S)-2-(3-methoxypropyl)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-1-carboxamide
CID 126423565
(3R)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-propylmorpholine-4-carboxamide
CID 125447942
(3S)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-propylmorpholine-4-carboxamide
CID 125447943
(2S)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(2-methoxyethyl)piperidine-1-carboxamide
CID 97444960
ethyl 4-[(4-methyl-3-oxo-1,4-benzoxazin-7-yl)carbamoylamino]piperidine-1-carboxylate
CID 72888952
1,3-dimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2,4-dioxopyrimidine-5-carboxamide
CID 84550997
(2R)-N-(2-chloro-4-fluoro-5-methylphenyl)-2-(3-methoxypropyl)piperidine-1-carboxamide
CID 97279136
(2S)-N-(3-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 95708222
(3S)-1-[2-[(4-methyl-3-oxo-1,4-benzoxazin-7-yl)carbamoylamino]ethyl]piperidine-3-carboxamide
CID 125438522
(2S)-2-[2-(dimethylamino)ethyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 97331505

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)piperidine-1-carboxamide?
The IUPAC name of 2-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)piperidine-1-carboxamide (CID 118763336) is 2-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)piperidine-1-carboxamide.
What is the SMILES notation for 2-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)piperidine-1-carboxamide?
The canonical SMILES for 2-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)piperidine-1-carboxamide is COCCCC1CCCCN1C(=O)Nc1ccc2c(c1)OCC(=O)N2C.
What is the InChIKey of 2-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)piperidine-1-carboxamide?
The InChIKey is WEMRIPITGGHLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-21-16-9-8-14(12-17(16)26-13-18(21)23)20-19(24)22-10-4-3-6-15(22)7-5-11-25-2/h8-9,12,15H,3-7,10-11,13H2,1-2H3,(H,20,24).
What are the key properties of 2-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)piperidine-1-carboxamide?
2-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)piperidine-1-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)piperidine-1-carboxamide is sourced from PubChem (CID 118763336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).