3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride

C19H32Cl2N4O — CID 119868585

IUPAC3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCN(C(=O)C1CCC(N)C1)C1CCN(CCc2ccccn2)CC1.Cl.Cl
InChIInChI=1S/C19H30N4O.2ClH/c1-22(19(24)15-5-6-16(20)14-15)18-8-12-23(13-9-18)11-7-17-4-2-3-10-21-17;;/h2-4,10,15-16,18H,5-9,11-14,20H2,1H3;2*1H
InChIKeyBNQLZFYZUZAWSB-UHFFFAOYSA-N
MW403.40 g/mol
LogP2.52
Rot. Bonds5

About 3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride

3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119868585) has the molecular formula C19H32Cl2N4O and a molecular weight of 403.40 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119868585
Molecular FormulaC19H32Cl2N4O
Molecular Weight403.40 g/mol
Exact Mass402.20
IUPAC Name3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCN(C(=O)C1CCC(N)C1)C1CCN(CCc2ccccn2)CC1.Cl.Cl
InChIInChI=1S/C19H30N4O.2ClH/c1-22(19(24)15-5-6-16(20)14-15)18-8-12-23(13-9-18)11-7-17-4-2-3-10-21-17;;/h2-4,10,15-16,18H,5-9,11-14,20H2,1H3;2*1H
InChIKeyBNQLZFYZUZAWSB-UHFFFAOYSA-N
XLogP2.52
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride 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

3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 119868586
3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119868587
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]acetamide;dihydrochloride
CID 119868601
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
(1S)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 52510919
N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119868611
tert-butyl N-methyl-N-[1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]carbamate
CID 71977139
N-methyl-4-oxo-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-1H-pyridine-2-carboxamide
CID 138025288
methyl 1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate
CID 60648150
N-methyl-4-nitro-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide
CID 60609216

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride (CID 119868585) is 3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride is CN(C(=O)C1CCC(N)C1)C1CCN(CCc2ccccn2)CC1.Cl.Cl.
What is the InChIKey of 3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is BNQLZFYZUZAWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O.2ClH/c1-22(19(24)15-5-6-16(20)14-15)18-8-12-23(13-9-18)11-7-17-4-2-3-10-21-17;;/h2-4,10,15-16,18H,5-9,11-14,20H2,1H3;2*1H.
What are the key properties of 3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride?
3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 403.40 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119868585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).