1-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]piperidine-4-carboxamide

C17H22N4O4 — CID 51592789

IUPAC1-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]piperidine-4-carboxamide
SMILESC[C@@H]1Oc2ccc(NC(=O)CN3CCC(C(N)=O)CC3)cc2NC1=O
InChIInChI=1S/C17H22N4O4/c1-10-17(24)20-13-8-12(2-3-14(13)25-10)19-15(22)9-21-6-4-11(5-7-21)16(18)23/h2-3,8,10-11H,4-7,9H2,1H3,(H2,18,23)(H,19,22)(H,20,24)/t10-/m0/s1
InChIKeyRTJXRWJKUKSADZ-JTQLQIEISA-N
MW346.39 g/mol
LogP0.54
Rot. Bonds4

About 1-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]piperidine-4-carboxamide

1-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 51592789) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID51592789
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name1-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]piperidine-4-carboxamide
SMILESC[C@@H]1Oc2ccc(NC(=O)CN3CCC(C(N)=O)CC3)cc2NC1=O
InChIInChI=1S/C17H22N4O4/c1-10-17(24)20-13-8-12(2-3-14(13)25-10)19-15(22)9-21-6-4-11(5-7-21)16(18)23/h2-3,8,10-11H,4-7,9H2,1H3,(H2,18,23)(H,19,22)(H,20,24)/t10-/m0/s1
InChIKeyRTJXRWJKUKSADZ-JTQLQIEISA-N
XLogP0.54
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
CID 42506170
1-ethylsulfonyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]piperidine-4-carboxamide
CID 25483106
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]cyclopentanecarboxamide
CID 9145093
3-(cyclopropylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 60867993
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 16606132
N-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18126600
4-amino-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)butanamide;hydrochloride
CID 119273981
(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid
CID 115170648
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(propan-2-ylamino)acetamide
CID 60843067
1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8530988
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(prop-2-enylamino)acetamide
CID 79284913
6-(carbamoylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)hexanamide
CID 18164565

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]piperidine-4-carboxamide (CID 51592789) is 1-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]piperidine-4-carboxamide is C[C@@H]1Oc2ccc(NC(=O)CN3CCC(C(N)=O)CC3)cc2NC1=O.
What is the InChIKey of 1-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is RTJXRWJKUKSADZ-JTQLQIEISA-N. The full InChI is InChI=1S/C17H22N4O4/c1-10-17(24)20-13-8-12(2-3-14(13)25-10)19-15(22)9-21-6-4-11(5-7-21)16(18)23/h2-3,8,10-11H,4-7,9H2,1H3,(H2,18,23)(H,19,22)(H,20,24)/t10-/m0/s1.
What are the key properties of 1-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]piperidine-4-carboxamide?
1-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 51592789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).