2-(2-oxoazepan-1-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride

C13H24ClN3O2 — CID 119511838

IUPAC2-(2-oxoazepan-1-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(CN1CCCCCC1=O)NCC1CCCN1
InChIInChI=1S/C13H23N3O2.ClH/c17-12(15-9-11-5-4-7-14-11)10-16-8-3-1-2-6-13(16)18;/h11,14H,1-10H2,(H,15,17);1H
InChIKeyPQXYWSDMYJSQOI-UHFFFAOYSA-N
MW289.81 g/mol
LogP0.68
Rot. Bonds4

About 2-(2-oxoazepan-1-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride

2-(2-oxoazepan-1-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride (PubChem CID 119511838) has the molecular formula C13H24ClN3O2 and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-(2-oxoazepan-1-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-oxoazepan-1-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
PubChem CID119511838
Molecular FormulaC13H24ClN3O2
Molecular Weight289.81 g/mol
Exact Mass289.16
IUPAC Name2-(2-oxoazepan-1-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(CN1CCCCCC1=O)NCC1CCCN1
InChIInChI=1S/C13H23N3O2.ClH/c17-12(15-9-11-5-4-7-14-11)10-16-8-3-1-2-6-13(16)18;/h11,14H,1-10H2,(H,15,17);1H
InChIKeyPQXYWSDMYJSQOI-UHFFFAOYSA-N
XLogP0.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azocan-1-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide
CID 122562256
2-(4-oxo-1,3-thiazolidin-3-yl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119514368
N-[(2-hydroxycyclopentyl)methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 111471342
N-[2-(cycloheptylamino)ethyl]-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
CID 119621354
2-(2-oxoazepan-1-yl)-N-pyrrolidin-3-ylacetamide
CID 119451455
N-(2-hydroxyethyl)-2-(2-oxoazepan-1-yl)acetamide
CID 43388932
2-[[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid
CID 119171385
N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 111459837
2-(2-oxopiperidin-1-yl)-N-piperidin-3-ylacetamide
CID 119427764
2-[[2-(2-oxoazepan-1-yl)acetyl]amino]acetamide
CID 15308077
N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119716947
N-(pyrrolidin-2-ylmethyl)azepane-1-carboxamide
CID 79152562

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoazepan-1-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-(2-oxoazepan-1-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride (CID 119511838) is 2-(2-oxoazepan-1-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(2-oxoazepan-1-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(2-oxoazepan-1-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride is Cl.O=C(CN1CCCCCC1=O)NCC1CCCN1.
What is the InChIKey of 2-(2-oxoazepan-1-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
The InChIKey is PQXYWSDMYJSQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2.ClH/c17-12(15-9-11-5-4-7-14-11)10-16-8-3-1-2-6-13(16)18;/h11,14H,1-10H2,(H,15,17);1H.
What are the key properties of 2-(2-oxoazepan-1-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
2-(2-oxoazepan-1-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride has a molecular weight of 289.81 g/mol, XLogP of 0.68, 4 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-2-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 119511838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).