1-[2-ethyl-6-(piperidin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone

C18H26N2O2 — CID 82340588

IUPAC1-[2-ethyl-6-(piperidin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
SMILESCCC1CN(C(C)=O)c2cc(CC3CCCCN3)ccc2O1
InChIInChI=1S/C18H26N2O2/c1-3-16-12-20(13(2)21)17-11-14(7-8-18(17)22-16)10-15-6-4-5-9-19-15/h7-8,11,15-16,19H,3-6,9-10,12H2,1-2H3
InChIKeyBDHQIXBXFMRFCS-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.90
Rot. Bonds3

About 1-[2-ethyl-6-(piperidin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone

1-[2-ethyl-6-(piperidin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone (PubChem CID 82340588) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-[2-ethyl-6-(piperidin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-ethyl-6-(piperidin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
PubChem CID82340588
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-[2-ethyl-6-(piperidin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
SMILESCCC1CN(C(C)=O)c2cc(CC3CCCCN3)ccc2O1
InChIInChI=1S/C18H26N2O2/c1-3-16-12-20(13(2)21)17-11-14(7-8-18(17)22-16)10-15-6-4-5-9-19-15/h7-8,11,15-16,19H,3-6,9-10,12H2,1-2H3
InChIKeyBDHQIXBXFMRFCS-UHFFFAOYSA-N
XLogP2.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(3-aminopropyl)-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 82340594
5-(4-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)pentanoic acid
CID 82533667
2,4-dimethyl-6-(piperidin-2-ylmethyl)-1,4-benzoxazin-3-one
CID 82339601
1-[6-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propan-1-one
CID 82340688
1-[5-(pyrrolidin-2-ylmethyl)-2,3-dihydroindol-1-yl]ethanone
CID 82340900
2-ethyl-4-propyl-6-(pyrrolidin-2-ylmethyl)-1,4-benzoxazin-3-one
CID 82339889
N-[3-(azepan-2-ylmethyl)phenyl]acetamide
CID 70141371
1-[6-(3-aminopropyl)-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]propan-1-one
CID 82340817
(2S)-2-(naphthalen-2-ylmethyl)piperidine
CID 94603397
1-[6-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 82096690
2-methyl-4-prop-2-enyl-6-(pyrrolidin-2-ylmethyl)-1,4-benzoxazin-3-one
CID 82339954
(2,4-diethyl-2,3-dihydro-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanol
CID 82340404

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethyl-6-(piperidin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone?
The IUPAC name of 1-[2-ethyl-6-(piperidin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone (CID 82340588) is 1-[2-ethyl-6-(piperidin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone.
What is the SMILES notation for 1-[2-ethyl-6-(piperidin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone?
The canonical SMILES for 1-[2-ethyl-6-(piperidin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone is CCC1CN(C(C)=O)c2cc(CC3CCCCN3)ccc2O1.
What is the InChIKey of 1-[2-ethyl-6-(piperidin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone?
The InChIKey is BDHQIXBXFMRFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-3-16-12-20(13(2)21)17-11-14(7-8-18(17)22-16)10-15-6-4-5-9-19-15/h7-8,11,15-16,19H,3-6,9-10,12H2,1-2H3.
What are the key properties of 1-[2-ethyl-6-(piperidin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone?
1-[2-ethyl-6-(piperidin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone has a molecular weight of 302.42 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethyl-6-(piperidin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone is sourced from PubChem (CID 82340588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).