3-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N,N-dimethylpropanamide

C22H35N3O2 — CID 118302900

IUPAC3-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N,N-dimethylpropanamide
SMILESCOCC1(CN[C@@H]2CC2c2ccccc2)CCN(CCC(=O)N(C)C)CC1
InChIInChI=1S/C22H35N3O2/c1-24(2)21(26)9-12-25-13-10-22(11-14-25,17-27-3)16-23-20-15-19(20)18-7-5-4-6-8-18/h4-8,19-20,23H,9-17H2,1-3H3/t19?,20-/m1/s1
InChIKeyICLNTIZTJVLIPG-GFOWMXPYSA-N
MW373.54 g/mol
LogP2.34
Rot. Bonds9

About 3-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N,N-dimethylpropanamide

3-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N,N-dimethylpropanamide (PubChem CID 118302900) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is 3-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N,N-dimethylpropanamide
PubChem CID118302900
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Name3-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N,N-dimethylpropanamide
SMILESCOCC1(CN[C@@H]2CC2c2ccccc2)CCN(CCC(=O)N(C)C)CC1
InChIInChI=1S/C22H35N3O2/c1-24(2)21(26)9-12-25-13-10-22(11-14-25,17-27-3)16-23-20-15-19(20)18-7-5-4-6-8-18/h4-8,19-20,23H,9-17H2,1-3H3/t19?,20-/m1/s1
InChIKeyICLNTIZTJVLIPG-GFOWMXPYSA-N
XLogP2.34
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N,N-dimethylpropanamide (CID 118302900) is 3-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N,N-dimethylpropanamide is COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CCC(=O)N(C)C)CC1.
What is the InChIKey of 3-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N,N-dimethylpropanamide?
The InChIKey is ICLNTIZTJVLIPG-GFOWMXPYSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-24(2)21(26)9-12-25-13-10-22(11-14-25,17-27-3)16-23-20-15-19(20)18-7-5-4-6-8-18/h4-8,19-20,23H,9-17H2,1-3H3/t19?,20-/m1/s1.
What are the key properties of 3-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N,N-dimethylpropanamide?
3-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N,N-dimethylpropanamide has a molecular weight of 373.54 g/mol, XLogP of 2.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 118302900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).