1-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-oxoethyl]piperidine-4-carboxamide

C16H21N3O3 — CID 82261221

IUPAC1-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-oxoethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)c2ccc3c(c2)NCCO3)CC1
InChIInChI=1S/C16H21N3O3/c17-16(21)11-3-6-19(7-4-11)10-14(20)12-1-2-15-13(9-12)18-5-8-22-15/h1-2,9,11,18H,3-8,10H2,(H2,17,21)
InChIKeyKCYTWZAAXGHAHJ-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.87
Rot. Bonds4

About 1-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-oxoethyl]piperidine-4-carboxamide

1-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 82261221) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID82261221
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name1-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-oxoethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)c2ccc3c(c2)NCCO3)CC1
InChIInChI=1S/C16H21N3O3/c17-16(21)11-3-6-19(7-4-11)10-14(20)12-1-2-15-13(9-12)18-5-8-22-15/h1-2,9,11,18H,3-8,10H2,(H2,17,21)
InChIKeyKCYTWZAAXGHAHJ-UHFFFAOYSA-N
XLogP0.87
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-pyrrolidin-1-ylethanone
CID 82050767
1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3-morpholin-4-ylpropan-1-one
CID 82050758
1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide
CID 82104485
1-[2-(4-hydroxyphenyl)-2-oxoethyl]piperidine-4-carboxamide
CID 43228109
4-amino-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)butan-1-one
CID 82341394
1-[2-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidin-1-yl]acetyl]piperidine-4-carboxamide
CID 95800732
2-[cyclohexyl(methyl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
CID 82260674
1-[2-(4-cyanophenyl)-2-oxoethyl]piperidine-4-carboxamide
CID 43228110
2-(diethylamino)-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
CID 82050770
1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-propylsulfanylethanone
CID 82050777
2-[bis(prop-2-enyl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
CID 82260676
2-(3-aminopyrrolidin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 63068559

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-oxoethyl]piperidine-4-carboxamide (CID 82261221) is 1-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-oxoethyl]piperidine-4-carboxamide is NC(=O)C1CCN(CC(=O)c2ccc3c(c2)NCCO3)CC1.
What is the InChIKey of 1-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is KCYTWZAAXGHAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c17-16(21)11-3-6-19(7-4-11)10-14(20)12-1-2-15-13(9-12)18-5-8-22-15/h1-2,9,11,18H,3-8,10H2,(H2,17,21).
What are the key properties of 1-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-oxoethyl]piperidine-4-carboxamide?
1-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 82261221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).