2-(4-benzylpiperidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride

C21H35Cl2N3O — CID 119535685

IUPAC2-(4-benzylpiperidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride
SMILESCC(C(=O)NCCC1CCNC1)N1CCC(Cc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C21H33N3O.2ClH/c1-17(21(25)23-12-8-20-7-11-22-16-20)24-13-9-19(10-14-24)15-18-5-3-2-4-6-18;;/h2-6,17,19-20,22H,7-16H2,1H3,(H,23,25);2*1H
InChIKeyOAXRTVCYRWVCOQ-UHFFFAOYSA-N
MW416.44 g/mol
LogP3.29
Rot. Bonds7

About 2-(4-benzylpiperidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride

2-(4-benzylpiperidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride (PubChem CID 119535685) has the molecular formula C21H35Cl2N3O and a molecular weight of 416.44 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride
PubChem CID119535685
Molecular FormulaC21H35Cl2N3O
Molecular Weight416.44 g/mol
Exact Mass415.22
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride
SMILESCC(C(=O)NCCC1CCNC1)N1CCC(Cc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C21H33N3O.2ClH/c1-17(21(25)23-12-8-20-7-11-22-16-20)24-13-9-19(10-14-24)15-18-5-3-2-4-6-18;;/h2-6,17,19-20,22H,7-16H2,1H3,(H,23,25);2*1H
InChIKeyOAXRTVCYRWVCOQ-UHFFFAOYSA-N
XLogP3.29
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzylpiperidin-1-yl)-N-[2-(methylamino)ethyl]propanamide;dihydrochloride
CID 119502046
N-(2-aminoethyl)-2-(4-benzylpiperidin-1-yl)propanamide
CID 119383721
(2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide
CID 93328769
2-(4-benzylpiperidin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 120949029
2-(4-benzylpiperidin-1-yl)propanoic acid
CID 20986530
4-methyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)pentanamide;hydrochloride
CID 119533754
(2S)-2-(4-benzylpiperidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 9430598
2-(4-benzylpiperidin-1-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120890321
2-methoxy-2-phenyl-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119537685
2-(4-benzylpiperidin-1-yl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120599103
2-(4-benzylpiperidin-1-yl)-1-phenylpropan-1-one
CID 45258253
2,2-dimethyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 119535148

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride (CID 119535685) is 2-(4-benzylpiperidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride is CC(C(=O)NCCC1CCNC1)N1CCC(Cc2ccccc2)CC1.Cl.Cl.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride?
The InChIKey is OAXRTVCYRWVCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O.2ClH/c1-17(21(25)23-12-8-20-7-11-22-16-20)24-13-9-19(10-14-24)15-18-5-3-2-4-6-18;;/h2-6,17,19-20,22H,7-16H2,1H3,(H,23,25);2*1H.
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride?
2-(4-benzylpiperidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride has a molecular weight of 416.44 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride is sourced from PubChem (CID 119535685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).