N-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetyl]-1-methylpyrrole-2-carboxamide

C15H22N4O2 — CID 115314363

IUPACN-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NC(=O)CN1CCC2CCC(C1)N2
InChIInChI=1S/C15H22N4O2/c1-18-7-2-3-13(18)15(21)17-14(20)10-19-8-6-11-4-5-12(9-19)16-11/h2-3,7,11-12,16H,4-6,8-10H2,1H3,(H,17,20,21)
InChIKeyBHOJSUFYUUZCSQ-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.11
Rot. Bonds3

About N-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetyl]-1-methylpyrrole-2-carboxamide

N-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetyl]-1-methylpyrrole-2-carboxamide (PubChem CID 115314363) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetyl]-1-methylpyrrole-2-carboxamide
PubChem CID115314363
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NC(=O)CN1CCC2CCC(C1)N2
InChIInChI=1S/C15H22N4O2/c1-18-7-2-3-13(18)15(21)17-14(20)10-19-8-6-11-4-5-12(9-19)16-11/h2-3,7,11-12,16H,4-6,8-10H2,1H3,(H,17,20,21)
InChIKeyBHOJSUFYUUZCSQ-UHFFFAOYSA-N
XLogP0.11
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,6-dichlorophenyl)acetamide
CID 81495475
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,3-dimethylphenyl)acetamide
CID 81495718
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methoxyethylcarbamoyl)acetamide
CID 81491193
N-(2-chlorophenyl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide
CID 81491367
N'-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetyl]thiophene-2-carbohydrazide
CID 115314251
N-(2-chloro-3-pyridinyl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide
CID 81490607
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride
CID 119927408
N-[(2-chlorophenyl)methyl]-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide
CID 81495926
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119927680
N-(4-bromo-3-methylphenyl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide
CID 81495521
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 81490149
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119927713

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetyl]-1-methylpyrrole-2-carboxamide (CID 115314363) is N-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetyl]-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)NC(=O)CN1CCC2CCC(C1)N2.
What is the InChIKey of N-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is BHOJSUFYUUZCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-18-7-2-3-13(18)15(21)17-14(20)10-19-8-6-11-4-5-12(9-19)16-11/h2-3,7,11-12,16H,4-6,8-10H2,1H3,(H,17,20,21).
What are the key properties of N-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetyl]-1-methylpyrrole-2-carboxamide?
N-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 115314363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).