6-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperidine-3-carboxamide

C16H20N2O3 — CID 71880749

IUPAC6-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperidine-3-carboxamide
SMILESO=C1CCC(C(=O)NC2CCCOc3ccccc32)CN1
InChIInChI=1S/C16H20N2O3/c19-15-8-7-11(10-17-15)16(20)18-13-5-3-9-21-14-6-2-1-4-12(13)14/h1-2,4,6,11,13H,3,5,7-10H2,(H,17,19)(H,18,20)
InChIKeyNTBCZIRRBDRKNI-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.54
Rot. Bonds2

About 6-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperidine-3-carboxamide

6-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperidine-3-carboxamide (PubChem CID 71880749) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperidine-3-carboxamide
PubChem CID71880749
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name6-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperidine-3-carboxamide
SMILESO=C1CCC(C(=O)NC2CCCOc3ccccc32)CN1
InChIInChI=1S/C16H20N2O3/c19-15-8-7-11(10-17-15)16(20)18-13-5-3-9-21-14-6-2-1-4-12(13)14/h1-2,4,6,11,13H,3,5,7-10H2,(H,17,19)(H,18,20)
InChIKeyNTBCZIRRBDRKNI-UHFFFAOYSA-N
XLogP1.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-6-oxo-N-[(5R)-2,3,4,5-tetrahydrobenzo[i][1]benzoxepin-5-yl]piperidine-3-carboxamide
CID 97084322
N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)cyclohexanecarboxamide
CID 110471677
2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperidine-3-carboxamide
CID 126827942
(3S)-1-ethyl-5-oxo-N-[(5S)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]pyrrolidine-3-carboxamide
CID 95309657
1-methoxy-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperidine-4-carboxamide
CID 126839799
2-bromo-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide
CID 19694270
N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119310383
(4aR,8aR)-3-oxo-N-[(5R)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carboxamide
CID 100630795
(3S)-1-cyclopentyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 51546866
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)urea
CID 110913063
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-3-carboxamide
CID 83192047
(2S)-2-methylsulfanyl-N-[(5R)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]propanamide
CID 95280877

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperidine-3-carboxamide?
The IUPAC name of 6-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperidine-3-carboxamide (CID 71880749) is 6-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperidine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperidine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperidine-3-carboxamide is O=C1CCC(C(=O)NC2CCCOc3ccccc32)CN1.
What is the InChIKey of 6-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperidine-3-carboxamide?
The InChIKey is NTBCZIRRBDRKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-15-8-7-11(10-17-15)16(20)18-13-5-3-9-21-14-6-2-1-4-12(13)14/h1-2,4,6,11,13H,3,5,7-10H2,(H,17,19)(H,18,20).
What are the key properties of 6-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperidine-3-carboxamide?
6-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperidine-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperidine-3-carboxamide is sourced from PubChem (CID 71880749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).