2-(2-oxoazepan-1-yl)-N-pyrrolidin-3-ylacetamide

C12H21N3O2 — CID 119451455

IUPAC2-(2-oxoazepan-1-yl)-N-pyrrolidin-3-ylacetamide
SMILESO=C(CN1CCCCCC1=O)NC1CCNC1
InChIInChI=1S/C12H21N3O2/c16-11(14-10-5-6-13-8-10)9-15-7-3-1-2-4-12(15)17/h10,13H,1-9H2,(H,14,16)
InChIKeyWJYBUGRTYANNRC-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.13
Rot. Bonds3

About 2-(2-oxoazepan-1-yl)-N-pyrrolidin-3-ylacetamide

2-(2-oxoazepan-1-yl)-N-pyrrolidin-3-ylacetamide (PubChem CID 119451455) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(2-oxoazepan-1-yl)-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound Name2-(2-oxoazepan-1-yl)-N-pyrrolidin-3-ylacetamide
PubChem CID119451455
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-(2-oxoazepan-1-yl)-N-pyrrolidin-3-ylacetamide
SMILESO=C(CN1CCCCCC1=O)NC1CCNC1
InChIInChI=1S/C12H21N3O2/c16-11(14-10-5-6-13-8-10)9-15-7-3-1-2-4-12(15)17/h10,13H,1-9H2,(H,14,16)
InChIKeyWJYBUGRTYANNRC-UHFFFAOYSA-N
XLogP-0.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-oxopiperidin-1-yl)-N-piperidin-3-ylacetamide
CID 119427764
N-cyclooctyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 39954322
3-[[2-(2-oxoazepan-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030936
N-(4-aminocyclohexyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
CID 119478869
N-(6-oxopiperidin-3-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 55210347
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxoazepan-1-yl)acetamide
CID 104956817
N-cyclopropyl-2-oxo-2-[2-[2-(2-oxoazocan-1-yl)acetyl]hydrazinyl]acetamide
CID 55756771
N-[2-(aminomethyl)cyclopentyl]-2-(2-oxoazepan-1-yl)acetamide
CID 119602522
N-(2,6-dioxopiperidin-3-yl)-2-(2-oxopiperidin-1-yl)acetamide
CID 127622640
2-(2-oxoazepan-1-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119511838
2-(2-oxoazepan-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119531180
N-[2-(cycloheptylamino)ethyl]-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
CID 119621354

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoazepan-1-yl)-N-pyrrolidin-3-ylacetamide?
The IUPAC name of 2-(2-oxoazepan-1-yl)-N-pyrrolidin-3-ylacetamide (CID 119451455) is 2-(2-oxoazepan-1-yl)-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for 2-(2-oxoazepan-1-yl)-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for 2-(2-oxoazepan-1-yl)-N-pyrrolidin-3-ylacetamide is O=C(CN1CCCCCC1=O)NC1CCNC1.
What is the InChIKey of 2-(2-oxoazepan-1-yl)-N-pyrrolidin-3-ylacetamide?
The InChIKey is WJYBUGRTYANNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c16-11(14-10-5-6-13-8-10)9-15-7-3-1-2-4-12(15)17/h10,13H,1-9H2,(H,14,16).
What are the key properties of 2-(2-oxoazepan-1-yl)-N-pyrrolidin-3-ylacetamide?
2-(2-oxoazepan-1-yl)-N-pyrrolidin-3-ylacetamide has a molecular weight of 239.32 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoazepan-1-yl)-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 119451455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).