1-[2-oxo-2-(3-pyrrolidin-1-ylazepan-1-yl)ethyl]azocan-2-one

C19H33N3O2 — CID 56783393

IUPAC1-[2-oxo-2-(3-pyrrolidin-1-ylazepan-1-yl)ethyl]azocan-2-one
SMILESO=C1CCCCCCN1CC(=O)N1CCCCC(N2CCCC2)C1
InChIInChI=1S/C19H33N3O2/c23-18-10-3-1-2-5-13-22(18)16-19(24)21-14-6-4-9-17(15-21)20-11-7-8-12-20/h17H,1-16H2
InChIKeyUZYMGIZRCNZBQQ-UHFFFAOYSA-N
MW335.49 g/mol
LogP2.26
Rot. Bonds3

About 1-[2-oxo-2-(3-pyrrolidin-1-ylazepan-1-yl)ethyl]azocan-2-one

1-[2-oxo-2-(3-pyrrolidin-1-ylazepan-1-yl)ethyl]azocan-2-one (PubChem CID 56783393) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 1-[2-oxo-2-(3-pyrrolidin-1-ylazepan-1-yl)ethyl]azocan-2-one.

Molecular Properties

Compound Name1-[2-oxo-2-(3-pyrrolidin-1-ylazepan-1-yl)ethyl]azocan-2-one
PubChem CID56783393
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name1-[2-oxo-2-(3-pyrrolidin-1-ylazepan-1-yl)ethyl]azocan-2-one
SMILESO=C1CCCCCCN1CC(=O)N1CCCCC(N2CCCC2)C1
InChIInChI=1S/C19H33N3O2/c23-18-10-3-1-2-5-13-22(18)16-19(24)21-14-6-4-9-17(15-21)20-11-7-8-12-20/h17H,1-16H2
InChIKeyUZYMGIZRCNZBQQ-UHFFFAOYSA-N
XLogP2.26
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-3-carboxylate
CID 110689806
1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 54878752
1-[3-[3-(azepan-1-yl)piperidin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione
CID 56783511
N-(2-aminoethyl)-1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-3-carboxamide
CID 119481485
N-(2-aminoethyl)-1-[2-(2-oxoazocan-1-yl)acetyl]piperidine-3-carboxamide
CID 119482275
methyl 1-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylate
CID 112733697
1-(2-cyclohexyl-2-oxoethyl)azepan-2-one
CID 104751187
1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperidin-2-one
CID 62024110
(9aR)-2-[2-(2-oxopiperidin-1-yl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 95123551
(5R)-7-cyclopentyl-2-[2-(2-oxoazepan-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97117547
1-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 106671974
1-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]azepan-2-one
CID 115874722

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(3-pyrrolidin-1-ylazepan-1-yl)ethyl]azocan-2-one?
The IUPAC name of 1-[2-oxo-2-(3-pyrrolidin-1-ylazepan-1-yl)ethyl]azocan-2-one (CID 56783393) is 1-[2-oxo-2-(3-pyrrolidin-1-ylazepan-1-yl)ethyl]azocan-2-one.
What is the SMILES notation for 1-[2-oxo-2-(3-pyrrolidin-1-ylazepan-1-yl)ethyl]azocan-2-one?
The canonical SMILES for 1-[2-oxo-2-(3-pyrrolidin-1-ylazepan-1-yl)ethyl]azocan-2-one is O=C1CCCCCCN1CC(=O)N1CCCCC(N2CCCC2)C1.
What is the InChIKey of 1-[2-oxo-2-(3-pyrrolidin-1-ylazepan-1-yl)ethyl]azocan-2-one?
The InChIKey is UZYMGIZRCNZBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c23-18-10-3-1-2-5-13-22(18)16-19(24)21-14-6-4-9-17(15-21)20-11-7-8-12-20/h17H,1-16H2.
What are the key properties of 1-[2-oxo-2-(3-pyrrolidin-1-ylazepan-1-yl)ethyl]azocan-2-one?
1-[2-oxo-2-(3-pyrrolidin-1-ylazepan-1-yl)ethyl]azocan-2-one has a molecular weight of 335.49 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(3-pyrrolidin-1-ylazepan-1-yl)ethyl]azocan-2-one is sourced from PubChem (CID 56783393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).