2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride

C14H27ClN4O2 — CID 119927408

IUPAC2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride
SMILESCC(C)CNC(=O)NC(=O)CN1CCC2CCC(C1)N2.Cl
InChIInChI=1S/C14H26N4O2.ClH/c1-10(2)7-15-14(20)17-13(19)9-18-6-5-11-3-4-12(8-18)16-11;/h10-12,16H,3-9H2,1-2H3,(H2,15,17,19,20);1H
InChIKeyUSCXKKPCMCZINS-UHFFFAOYSA-N
MW318.85 g/mol
LogP0.72
Rot. Bonds4

About 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride

2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride (PubChem CID 119927408) has the molecular formula C14H27ClN4O2 and a molecular weight of 318.85 g/mol. Its IUPAC name is 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride
PubChem CID119927408
Molecular FormulaC14H27ClN4O2
Molecular Weight318.85 g/mol
Exact Mass318.18
IUPAC Name2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride
SMILESCC(C)CNC(=O)NC(=O)CN1CCC2CCC(C1)N2.Cl
InChIInChI=1S/C14H26N4O2.ClH/c1-10(2)7-15-14(20)17-13(19)9-18-6-5-11-3-4-12(8-18)16-11;/h10-12,16H,3-9H2,1-2H3,(H2,15,17,19,20);1H
InChIKeyUSCXKKPCMCZINS-UHFFFAOYSA-N
XLogP0.72
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methylpropyl)acetamide;hydrochloride
CID 119927689
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methoxyethylcarbamoyl)acetamide
CID 81491193
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 62064127
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(5-methylhexan-2-yl)acetamide
CID 81491039
2-(3-methylpiperidin-1-yl)-N-(2-methylpropylcarbamoyl)acetamide
CID 51170637
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 81490233
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 78930704
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 102788347
N-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetyl]-1-methylpyrrole-2-carboxamide
CID 115314363
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119927680
N-(3-methylbutylcarbamoyl)-2-piperazin-1-ylacetamide
CID 43162386
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 112628199

Frequently Asked Questions

What is the IUPAC name of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride?
The IUPAC name of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride (CID 119927408) is 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride?
The canonical SMILES for 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride is CC(C)CNC(=O)NC(=O)CN1CCC2CCC(C1)N2.Cl.
What is the InChIKey of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride?
The InChIKey is USCXKKPCMCZINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2.ClH/c1-10(2)7-15-14(20)17-13(19)9-18-6-5-11-3-4-12(8-18)16-11;/h10-12,16H,3-9H2,1-2H3,(H2,15,17,19,20);1H.
What are the key properties of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride?
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride has a molecular weight of 318.85 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride is sourced from PubChem (CID 119927408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).