N-[1-[2-(dimethylamino)-2-oxoethyl]indol-6-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C21H27ClN6O2 — CID 120934294

IUPACN-[1-[2-(dimethylamino)-2-oxoethyl]indol-6-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCN(C)C(=O)Cn1ccc2ccc(NC(=O)C3(n4cccn4)CCNCC3)cc21.Cl
InChIInChI=1S/C21H26N6O2.ClH/c1-25(2)19(28)15-26-13-6-16-4-5-17(14-18(16)26)24-20(29)21(7-10-22-11-8-21)27-12-3-9-23-27;/h3-6,9,12-14,22H,7-8,10-11,15H2,1-2H3,(H,24,29);1H
InChIKeyFDWFRNDIODNOCO-UHFFFAOYSA-N
MW430.94 g/mol
LogP2.07
Rot. Bonds5

About N-[1-[2-(dimethylamino)-2-oxoethyl]indol-6-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-[1-[2-(dimethylamino)-2-oxoethyl]indol-6-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120934294) has the molecular formula C21H27ClN6O2 and a molecular weight of 430.94 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)-2-oxoethyl]indol-6-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)-2-oxoethyl]indol-6-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120934294
Molecular FormulaC21H27ClN6O2
Molecular Weight430.94 g/mol
Exact Mass430.19
IUPAC NameN-[1-[2-(dimethylamino)-2-oxoethyl]indol-6-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCN(C)C(=O)Cn1ccc2ccc(NC(=O)C3(n4cccn4)CCNCC3)cc21.Cl
InChIInChI=1S/C21H26N6O2.ClH/c1-25(2)19(28)15-26-13-6-16-4-5-17(14-18(16)26)24-20(29)21(7-10-22-11-8-21)27-12-3-9-23-27;/h3-6,9,12-14,22H,7-8,10-11,15H2,1-2H3,(H,24,29);1H
InChIKeyFDWFRNDIODNOCO-UHFFFAOYSA-N
XLogP2.07
TPSA84.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.94
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[2-(dimethylamino)-2-oxoethyl]indol-6-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120927555
N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917006
N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917507
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120942320
N-(2-methyl-4-pyridinyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938072
N-(2-methyl-1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120921641
N-(3-chloro-4-pyrazol-1-ylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930811
4-pyrazol-1-yl-N-quinolin-6-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938699
N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120942321
N-(3-acetamido-4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120921193
N-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120920388

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)-2-oxoethyl]indol-6-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-[2-(dimethylamino)-2-oxoethyl]indol-6-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120934294) is N-[1-[2-(dimethylamino)-2-oxoethyl]indol-6-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[2-(dimethylamino)-2-oxoethyl]indol-6-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[2-(dimethylamino)-2-oxoethyl]indol-6-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is CN(C)C(=O)Cn1ccc2ccc(NC(=O)C3(n4cccn4)CCNCC3)cc21.Cl.
What is the InChIKey of N-[1-[2-(dimethylamino)-2-oxoethyl]indol-6-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is FDWFRNDIODNOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2.ClH/c1-25(2)19(28)15-26-13-6-16-4-5-17(14-18(16)26)24-20(29)21(7-10-22-11-8-21)27-12-3-9-23-27;/h3-6,9,12-14,22H,7-8,10-11,15H2,1-2H3,(H,24,29);1H.
What are the key properties of N-[1-[2-(dimethylamino)-2-oxoethyl]indol-6-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-[1-[2-(dimethylamino)-2-oxoethyl]indol-6-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 430.94 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)-2-oxoethyl]indol-6-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120934294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).