1-(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-3-carboxamide

C14H18N4O3 — CID 43479138

IUPAC1-(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2cc3c(cc2N)OCC(=O)N3)C1
InChIInChI=1S/C14H18N4O3/c15-9-4-12-10(17-13(19)7-21-12)5-11(9)18-3-1-2-8(6-18)14(16)20/h4-5,8H,1-3,6-7,15H2,(H2,16,20)(H,17,19)
InChIKeyRXSMPUDYFMSFPU-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.30
Rot. Bonds2

About 1-(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-3-carboxamide

1-(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-3-carboxamide (PubChem CID 43479138) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-3-carboxamide
PubChem CID43479138
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name1-(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2cc3c(cc2N)OCC(=O)N3)C1
InChIInChI=1S/C14H18N4O3/c15-9-4-12-10(17-13(19)7-21-12)5-11(9)18-3-1-2-8(6-18)14(16)20/h4-5,8H,1-3,6-7,15H2,(H2,16,20)(H,17,19)
InChIKeyRXSMPUDYFMSFPU-UHFFFAOYSA-N
XLogP0.30
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-amino-6-[4-(1-hydroxyethyl)piperidin-1-yl]-4H-1,4-benzoxazin-3-one
CID 106835369
7-amino-6-(3-ethyl-4-methylpiperazin-1-yl)-4H-1,4-benzoxazin-3-one
CID 63611011
3-amino-4-(3-carbamoylpiperidin-1-yl)benzoic acid
CID 54888911
(3R)-1-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-3-carboxylic acid
CID 92863879
1-(2-amino-4-chloro-5-fluorophenyl)piperidine-3-carboxamide
CID 66077177
7-amino-6-(2,3-dihydroindol-1-yl)-4H-1,4-benzoxazin-3-one
CID 43479146
1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide
CID 117008299
1-[2-amino-4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 16784735
(2R)-1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-2-carboxamide
CID 97185652
7-amino-6-methyl-4H-1,4-benzoxazin-3-one
CID 19908759
1-(2-amino-5-cyanophenyl)piperidine-3-carboxamide
CID 104711327
1-(4-amino-2-fluorophenyl)piperidine-3-carboxamide
CID 43123574

Frequently Asked Questions

What is the IUPAC name of 1-(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-3-carboxamide (CID 43479138) is 1-(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-3-carboxamide is NC(=O)C1CCCN(c2cc3c(cc2N)OCC(=O)N3)C1.
What is the InChIKey of 1-(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-3-carboxamide?
The InChIKey is RXSMPUDYFMSFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c15-9-4-12-10(17-13(19)7-21-12)5-11(9)18-3-1-2-8(6-18)14(16)20/h4-5,8H,1-3,6-7,15H2,(H2,16,20)(H,17,19).
What are the key properties of 1-(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-3-carboxamide?
1-(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-3-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 0.30, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-3-carboxamide is sourced from PubChem (CID 43479138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).