N-[(5-oxopyrrolidin-2-yl)methyl]azocane-2-carboxamide

C13H23N3O2 — CID 114240154

IUPACN-[(5-oxopyrrolidin-2-yl)methyl]azocane-2-carboxamide
SMILESO=C1CCC(CNC(=O)C2CCCCCCN2)N1
InChIInChI=1S/C13H23N3O2/c17-12-7-6-10(16-12)9-15-13(18)11-5-3-1-2-4-8-14-11/h10-11,14H,1-9H2,(H,15,18)(H,16,17)
InChIKeyDAEGIHCTYGZCSS-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.30
Rot. Bonds3

About N-[(5-oxopyrrolidin-2-yl)methyl]azocane-2-carboxamide

N-[(5-oxopyrrolidin-2-yl)methyl]azocane-2-carboxamide (PubChem CID 114240154) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[(5-oxopyrrolidin-2-yl)methyl]azocane-2-carboxamide.

Molecular Properties

Compound NameN-[(5-oxopyrrolidin-2-yl)methyl]azocane-2-carboxamide
PubChem CID114240154
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-[(5-oxopyrrolidin-2-yl)methyl]azocane-2-carboxamide
SMILESO=C1CCC(CNC(=O)C2CCCCCCN2)N1
InChIInChI=1S/C13H23N3O2/c17-12-7-6-10(16-12)9-15-13(18)11-5-3-1-2-4-8-14-11/h10-11,14H,1-9H2,(H,15,18)(H,16,17)
InChIKeyDAEGIHCTYGZCSS-UHFFFAOYSA-N
XLogP0.30
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-5-oxo-N-(piperidin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 103805969
N-(cyclooctylmethyl)piperidine-2-carboxamide;hydrochloride
CID 119299438
N-(cyclobutylmethyl)azepane-2-carboxamide
CID 64564563
N-(thiolan-2-ylmethyl)azepane-2-carboxamide
CID 80584708
N-(cyanomethyl)azocane-2-carboxamide
CID 130491299
N-[(2,2-dimethylcyclopropyl)methyl]azepane-2-carboxamide
CID 104954794
N-(thian-2-ylmethyl)piperidine-2-carboxamide
CID 80599886
N-(oxan-4-ylmethyl)azocane-2-carboxamide
CID 114240145
(2R)-N-[(4-hydroxycyclohexyl)methyl]piperidine-2-carboxamide
CID 106135357
(2S)-N-[(2-methylcyclohexyl)methyl]piperidine-2-carboxamide
CID 103809808
N-(1,4-dithian-2-ylmethyl)azepane-2-carboxamide
CID 113489395
(2R)-N-[(2-methylcyclopentyl)methyl]piperidine-2-carboxamide
CID 107418450

Frequently Asked Questions

What is the IUPAC name of N-[(5-oxopyrrolidin-2-yl)methyl]azocane-2-carboxamide?
The IUPAC name of N-[(5-oxopyrrolidin-2-yl)methyl]azocane-2-carboxamide (CID 114240154) is N-[(5-oxopyrrolidin-2-yl)methyl]azocane-2-carboxamide.
What is the SMILES notation for N-[(5-oxopyrrolidin-2-yl)methyl]azocane-2-carboxamide?
The canonical SMILES for N-[(5-oxopyrrolidin-2-yl)methyl]azocane-2-carboxamide is O=C1CCC(CNC(=O)C2CCCCCCN2)N1.
What is the InChIKey of N-[(5-oxopyrrolidin-2-yl)methyl]azocane-2-carboxamide?
The InChIKey is DAEGIHCTYGZCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c17-12-7-6-10(16-12)9-15-13(18)11-5-3-1-2-4-8-14-11/h10-11,14H,1-9H2,(H,15,18)(H,16,17).
What are the key properties of N-[(5-oxopyrrolidin-2-yl)methyl]azocane-2-carboxamide?
N-[(5-oxopyrrolidin-2-yl)methyl]azocane-2-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-oxopyrrolidin-2-yl)methyl]azocane-2-carboxamide is sourced from PubChem (CID 114240154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).