2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-benzylacetamide

C21H30N4O2 — CID 119840168

IUPAC2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-benzylacetamide
SMILESNC1C2CCC(C2)C1C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C21H30N4O2/c22-20-17-7-6-16(12-17)19(20)21(27)25-10-8-24(9-11-25)14-18(26)23-13-15-4-2-1-3-5-15/h1-5,16-17,19-20H,6-14,22H2,(H,23,26)
InChIKeyFMDXFJAFFULHSL-UHFFFAOYSA-N
MW370.50 g/mol
LogP0.82
Rot. Bonds5

About 2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-benzylacetamide

2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-benzylacetamide (PubChem CID 119840168) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-benzylacetamide.

Molecular Properties

Compound Name2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-benzylacetamide
PubChem CID119840168
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-benzylacetamide
SMILESNC1C2CCC(C2)C1C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C21H30N4O2/c22-20-17-7-6-16(12-17)19(20)21(27)25-10-8-24(9-11-25)14-18(26)23-13-15-4-2-1-3-5-15/h1-5,16-17,19-20H,6-14,22H2,(H,23,26)
InChIKeyFMDXFJAFFULHSL-UHFFFAOYSA-N
XLogP0.82
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119843973
N-benzyl-2-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]acetamide
CID 137341250
1-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-1,4-diazepan-1-yl]-3-phenylpropan-1-one
CID 119754744
(3-amino-2-bicyclo[2.2.1]heptanyl)-(4-phenylpiperazin-1-yl)methanone;dihydrochloride
CID 119826840
2-(4-benzoylpiperidin-1-yl)-N-benzylacetamide
CID 26037570
N-benzyl-2-[4-(1-benzylpyrrolidine-2-carbonyl)piperazin-1-yl]acetamide
CID 55986557
N-benzyl-2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]acetamide
CID 46700155
2-(3-aminoazetidin-1-yl)-N-benzylacetamide
CID 63760913
2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-1-(azepan-1-yl)ethanone
CID 119836889
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-benzylacetamide
CID 6467232
N-benzyl-2-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30636504
N-benzyl-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30636513

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-benzylacetamide?
The IUPAC name of 2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-benzylacetamide (CID 119840168) is 2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-benzylacetamide.
What is the SMILES notation for 2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-benzylacetamide?
The canonical SMILES for 2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-benzylacetamide is NC1C2CCC(C2)C1C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1.
What is the InChIKey of 2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-benzylacetamide?
The InChIKey is FMDXFJAFFULHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c22-20-17-7-6-16(12-17)19(20)21(27)25-10-8-24(9-11-25)14-18(26)23-13-15-4-2-1-3-5-15/h1-5,16-17,19-20H,6-14,22H2,(H,23,26).
What are the key properties of 2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-benzylacetamide?
2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-benzylacetamide has a molecular weight of 370.50 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-benzylacetamide is sourced from PubChem (CID 119840168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).