2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide

C19H32N2O2 — CID 129421859

IUPAC2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide
SMILESO=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NC1CCN(C[C@H]2CCOC2)CC1
InChIInChI=1S/C19H32N2O2/c22-19(11-17-10-14-1-2-16(17)9-14)20-18-3-6-21(7-4-18)12-15-5-8-23-13-15/h14-18H,1-13H2,(H,20,22)/t14-,15+,16-,17-/m0/s1
InChIKeyDMOBZOAUYMWGLK-YVSFHVDLSA-N
MW320.48 g/mol
LogP2.43
Rot. Bonds5

About 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide

2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 129421859) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide
PubChem CID129421859
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide
SMILESO=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NC1CCN(C[C@H]2CCOC2)CC1
InChIInChI=1S/C19H32N2O2/c22-19(11-17-10-14-1-2-16(17)9-14)20-18-3-6-21(7-4-18)12-15-5-8-23-13-15/h14-18H,1-13H2,(H,20,22)/t14-,15+,16-,17-/m0/s1
InChIKeyDMOBZOAUYMWGLK-YVSFHVDLSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 63627160
2-(2-bicyclo[2.2.1]heptanyl)-N-(4-bromocyclohexyl)acetamide
CID 114309119
2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-(oxan-4-yl)acetamide
CID 55232432
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide
CID 98727736
2-(2-bicyclo[2.2.1]heptanyl)-N-(4-oxocyclohexyl)acetamide
CID 43652801
2-(2-bicyclo[2.2.1]heptanyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119449433
3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66031304
2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide
CID 18558210
2-(2,5-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide
CID 95631988
3-amino-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-3-phenylpropanamide
CID 119953980
3-(2,4-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]propanamide
CID 95631970
N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]methanesulfonamide
CID 95141176

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide (CID 129421859) is 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide is O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NC1CCN(C[C@H]2CCOC2)CC1.
What is the InChIKey of 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide?
The InChIKey is DMOBZOAUYMWGLK-YVSFHVDLSA-N. The full InChI is InChI=1S/C19H32N2O2/c22-19(11-17-10-14-1-2-16(17)9-14)20-18-3-6-21(7-4-18)12-15-5-8-23-13-15/h14-18H,1-13H2,(H,20,22)/t14-,15+,16-,17-/m0/s1.
What are the key properties of 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide?
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 320.48 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 129421859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).