N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride

C17H27Cl2N5OS — CID 120937887

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
SMILESCN(C)C(CNC(=O)C1(n2cccn2)CCNCC1)c1cccs1.Cl.Cl
InChIInChI=1S/C17H25N5OS.2ClH/c1-21(2)14(15-5-3-12-24-15)13-19-16(23)17(6-9-18-10-7-17)22-11-4-8-20-22;;/h3-5,8,11-12,14,18H,6-7,9-10,13H2,1-2H3,(H,19,23);2*1H
InChIKeyIAOIVCDBQDNNDE-UHFFFAOYSA-N
MW420.41 g/mol
LogP2.29
Rot. Bonds6

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride (PubChem CID 120937887) has the molecular formula C17H27Cl2N5OS and a molecular weight of 420.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
PubChem CID120937887
Molecular FormulaC17H27Cl2N5OS
Molecular Weight420.41 g/mol
Exact Mass419.13
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
SMILESCN(C)C(CNC(=O)C1(n2cccn2)CCNCC1)c1cccs1.Cl.Cl
InChIInChI=1S/C17H25N5OS.2ClH/c1-21(2)14(15-5-3-12-24-15)13-19-16(23)17(6-9-18-10-7-17)22-11-4-8-20-22;;/h3-5,8,11-12,14,18H,6-7,9-10,13H2,1-2H3,(H,19,23);2*1H
InChIKeyIAOIVCDBQDNNDE-UHFFFAOYSA-N
XLogP2.29
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.41
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-pyrazol-1-ylpiperidine-4-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

N-[2-(dimethylamino)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120939947
N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120919191
N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919192
N-[2-(2,6-dichlorophenyl)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930429
N-[[1-(dimethylamino)cycloheptyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938113
N-[[1-(dimethylamino)cyclopentyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120937895
N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120935923
N-[2-[ethyl(methyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120940230
1-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclobutane-1-carboxamide
CID 81172793
methyl 2-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]acetate;hydrochloride
CID 120924676
N-[(2,2-dimethylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120932686
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120942474

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride (CID 120937887) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride is CN(C)C(CNC(=O)C1(n2cccn2)CCNCC1)c1cccs1.Cl.Cl.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride?
The InChIKey is IAOIVCDBQDNNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5OS.2ClH/c1-21(2)14(15-5-3-12-24-15)13-19-16(23)17(6-9-18-10-7-17)22-11-4-8-20-22;;/h3-5,8,11-12,14,18H,6-7,9-10,13H2,1-2H3,(H,19,23);2*1H.
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride has a molecular weight of 420.41 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120937887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).