2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]-N,N-diethylacetamide

C19H34N4O2 — CID 119837500

IUPAC2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)CC2CC3CCC(C2)N3)CC1
InChIInChI=1S/C19H34N4O2/c1-3-22(4-2)19(25)14-21-7-9-23(10-8-21)18(24)13-15-11-16-5-6-17(12-15)20-16/h15-17,20H,3-14H2,1-2H3
InChIKeyRYDSBEGJQYGSSX-UHFFFAOYSA-N
MW350.51 g/mol
LogP0.92
Rot. Bonds6

About 2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]-N,N-diethylacetamide

2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]-N,N-diethylacetamide (PubChem CID 119837500) has the molecular formula C19H34N4O2 and a molecular weight of 350.51 g/mol. Its IUPAC name is 2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]-N,N-diethylacetamide
PubChem CID119837500
Molecular FormulaC19H34N4O2
Molecular Weight350.51 g/mol
Exact Mass350.27
IUPAC Name2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)CC2CC3CCC(C2)N3)CC1
InChIInChI=1S/C19H34N4O2/c1-3-22(4-2)19(25)14-21-7-9-23(10-8-21)18(24)13-15-11-16-5-6-17(12-15)20-16/h15-17,20H,3-14H2,1-2H3
InChIKeyRYDSBEGJQYGSSX-UHFFFAOYSA-N
XLogP0.92
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[1-[(2S)-2,6-diaminohexanoyl]piperidin-4-yl]piperidin-1-yl]pentadecan-1-one
CID 44592922
2-[(endo)-8-(tert-Butylcarbamoyl)methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-(2,2-dimethylpropyl) acetamide
CID 126736662
N-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-4,4-dimethylpentanamide
CID 130191211
Ac-Abu(cHex)-Val-Pro-NH2
CID 16732148
(2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 75411407
cyclo[DL-Cha-D-Leu-DL-Chg-Leu-D-Pro-D-Leu]
CID 168273989
(2R)-2-cyclohexyl-N-methyl-2-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]acetamide
CID 75411405
N-methyl-1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide
CID 75411499
4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 110195719
1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 124052791
2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 24719270
N-[2-[heptan-4-yl-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 72040204

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]-N,N-diethylacetamide (CID 119837500) is 2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CN1CCN(C(=O)CC2CC3CCC(C2)N3)CC1.
What is the InChIKey of 2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]-N,N-diethylacetamide?
The InChIKey is RYDSBEGJQYGSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2/c1-3-22(4-2)19(25)14-21-7-9-23(10-8-21)18(24)13-15-11-16-5-6-17(12-15)20-16/h15-17,20H,3-14H2,1-2H3.
What are the key properties of 2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]-N,N-diethylacetamide?
2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]-N,N-diethylacetamide has a molecular weight of 350.51 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 119837500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).