N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride

C19H32Cl2N4O — CID 119868611

IUPACN-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCN(C(=O)CC1CCCN1)C1CCN(CCc2ccccn2)CC1.Cl.Cl
InChIInChI=1S/C19H30N4O.2ClH/c1-22(19(24)15-17-6-4-11-21-17)18-8-13-23(14-9-18)12-7-16-5-2-3-10-20-16;;/h2-3,5,10,17-18,21H,4,6-9,11-15H2,1H3;2*1H
InChIKeyLTGBHDZHOZFYLC-UHFFFAOYSA-N
MW403.40 g/mol
LogP2.53
Rot. Bonds6

About N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride

N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride (PubChem CID 119868611) has the molecular formula C19H32Cl2N4O and a molecular weight of 403.40 g/mol. Its IUPAC name is N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
PubChem CID119868611
Molecular FormulaC19H32Cl2N4O
Molecular Weight403.40 g/mol
Exact Mass402.20
IUPAC NameN-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCN(C(=O)CC1CCCN1)C1CCN(CCc2ccccn2)CC1.Cl.Cl
InChIInChI=1S/C19H30N4O.2ClH/c1-22(19(24)15-17-6-4-11-21-17)18-8-13-23(14-9-18)12-7-16-5-2-3-10-20-16;;/h2-3,5,10,17-18,21H,4,6-9,11-15H2,1H3;2*1H
InChIKeyLTGBHDZHOZFYLC-UHFFFAOYSA-N
XLogP2.53
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]acetamide;dihydrochloride
CID 119868601
N-methyl-N-(pyridin-2-ylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61372384
4-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]butanamide
CID 119868618
N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]but-2-ynamide
CID 146091210
3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide;dihydrochloride
CID 119868605
3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119868587
N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119873338
N-methyl-4-oxo-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-1H-pyridine-2-carboxamide
CID 138025288
3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119868585
3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 119868586
(1S)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 52510919
N-(1-ethylpiperidin-4-yl)-N-methyl-2-piperidin-2-ylacetamide
CID 55002831

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The IUPAC name of N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride (CID 119868611) is N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride.
What is the SMILES notation for N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The canonical SMILES for N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride is CN(C(=O)CC1CCCN1)C1CCN(CCc2ccccn2)CC1.Cl.Cl.
What is the InChIKey of N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The InChIKey is LTGBHDZHOZFYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O.2ClH/c1-22(19(24)15-17-6-4-11-21-17)18-8-13-23(14-9-18)12-7-16-5-2-3-10-20-16;;/h2-3,5,10,17-18,21H,4,6-9,11-15H2,1H3;2*1H.
What are the key properties of N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride has a molecular weight of 403.40 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride is sourced from PubChem (CID 119868611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).