7-oxo-N-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]azepane-2-carboxamide

C18H33N3O3 — CID 91908907

IUPAC7-oxo-N-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]azepane-2-carboxamide
SMILESCC(C)N1CCC(OCCCNC(=O)C2CCCCC(=O)N2)CC1
InChIInChI=1S/C18H33N3O3/c1-14(2)21-11-8-15(9-12-21)24-13-5-10-19-18(23)16-6-3-4-7-17(22)20-16/h14-16H,3-13H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyUGGNXTKSNSYNJT-UHFFFAOYSA-N
MW339.48 g/mol
LogP1.44
Rot. Bonds7

About 7-oxo-N-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]azepane-2-carboxamide

7-oxo-N-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]azepane-2-carboxamide (PubChem CID 91908907) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is 7-oxo-N-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]azepane-2-carboxamide.

Molecular Properties

Compound Name7-oxo-N-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]azepane-2-carboxamide
PubChem CID91908907
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Name7-oxo-N-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]azepane-2-carboxamide
SMILESCC(C)N1CCC(OCCCNC(=O)C2CCCCC(=O)N2)CC1
InChIInChI=1S/C18H33N3O3/c1-14(2)21-11-8-15(9-12-21)24-13-5-10-19-18(23)16-6-3-4-7-17(22)20-16/h14-16H,3-13H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyUGGNXTKSNSYNJT-UHFFFAOYSA-N
XLogP1.44
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-(Morpholine-4-carbonyl)azepan-2-one
CID 110196332
1-methyl-7-oxo-N-(2-piperidin-1-ylethyl)azepane-2-carboxamide
CID 110196285
7-(4-Methylpiperazine-1-carbonyl)azepan-2-one
CID 110196300
N-[2-(Morpholin-4-YL)ethyl]-7-oxoazepane-2-carboxamide
CID 110196306
7-[(4-Ethylpiperazino)carbonyl]-2-azepanone
CID 110196316
7-(Piperidine-1-carbonyl)azepan-2-one
CID 110196331
7-Oxo-N-[3-(propan-2-yloxy)propyl]azepane-2-carboxamide
CID 124072680
2-(2,5-dimethylmorpholin-4-yl)-N-(2-oxoazepan-3-yl)acetamide
CID 51080655
(2S)-N-methyl-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-7-oxoazepane-2-carboxamide
CID 125534178
(7S)-7-(piperidine-1-carbonyl)azepan-2-one
CID 164630527
(2S)-N-(2-morpholin-4-ylethyl)-7-oxoazepane-2-carboxamide
CID 164633916
3-Methyl-2,3,4,7,8,9,10,10a-octahydropyrazino[1,2-a]azepine-1,6-dione
CID 18338606

Frequently Asked Questions

What is the IUPAC name of 7-oxo-N-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]azepane-2-carboxamide?
The IUPAC name of 7-oxo-N-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]azepane-2-carboxamide (CID 91908907) is 7-oxo-N-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]azepane-2-carboxamide.
What is the SMILES notation for 7-oxo-N-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]azepane-2-carboxamide?
The canonical SMILES for 7-oxo-N-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]azepane-2-carboxamide is CC(C)N1CCC(OCCCNC(=O)C2CCCCC(=O)N2)CC1.
What is the InChIKey of 7-oxo-N-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]azepane-2-carboxamide?
The InChIKey is UGGNXTKSNSYNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-14(2)21-11-8-15(9-12-21)24-13-5-10-19-18(23)16-6-3-4-7-17(22)20-16/h14-16H,3-13H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 7-oxo-N-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]azepane-2-carboxamide?
7-oxo-N-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]azepane-2-carboxamide has a molecular weight of 339.48 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-N-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]azepane-2-carboxamide is sourced from PubChem (CID 91908907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).