4-pyrazol-1-yl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]piperidine-4-carboxamide;hydrochloride

C21H28ClN5O — CID 120928380

IUPAC4-pyrazol-1-yl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCc1cc(CNC(=O)C2(n3cccn3)CCNCC2)c2[nH]c(C)c(C)c2c1.Cl
InChIInChI=1S/C21H27N5O.ClH/c1-14-11-17(19-18(12-14)15(2)16(3)25-19)13-23-20(27)21(5-8-22-9-6-21)26-10-4-7-24-26;/h4,7,10-12,22,25H,5-6,8-9,13H2,1-3H3,(H,23,27);1H
InChIKeyXYRSFHSOBKZFDQ-UHFFFAOYSA-N
MW401.94 g/mol
LogP3.11
Rot. Bonds4

About 4-pyrazol-1-yl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]piperidine-4-carboxamide;hydrochloride

4-pyrazol-1-yl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120928380) has the molecular formula C21H28ClN5O and a molecular weight of 401.94 g/mol. Its IUPAC name is 4-pyrazol-1-yl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-pyrazol-1-yl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID120928380
Molecular FormulaC21H28ClN5O
Molecular Weight401.94 g/mol
Exact Mass401.20
IUPAC Name4-pyrazol-1-yl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCc1cc(CNC(=O)C2(n3cccn3)CCNCC2)c2[nH]c(C)c(C)c2c1.Cl
InChIInChI=1S/C21H27N5O.ClH/c1-14-11-17(19-18(12-14)15(2)16(3)25-19)13-23-20(27)21(5-8-22-9-6-21)26-10-4-7-24-26;/h4,7,10-12,22,25H,5-6,8-9,13H2,1-3H3,(H,23,27);1H
InChIKeyXYRSFHSOBKZFDQ-UHFFFAOYSA-N
XLogP3.11
TPSA74.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120921521
N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide
CID 56878713
N-[(4-chloro-2-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120931808
N-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120923913
methyl 2-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]acetate;hydrochloride
CID 120924676
N-[[3-(methoxymethyl)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120923550
N-(2,2-dimethylpropyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120922205
2-(5-methylpyrazol-1-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide
CID 56877833
N-[[4-(diethylcarbamoyl)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120922734
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938055
N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120934852
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120936471

Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-pyrazol-1-yl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]piperidine-4-carboxamide;hydrochloride (CID 120928380) is 4-pyrazol-1-yl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-pyrazol-1-yl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-pyrazol-1-yl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]piperidine-4-carboxamide;hydrochloride is Cc1cc(CNC(=O)C2(n3cccn3)CCNCC2)c2[nH]c(C)c(C)c2c1.Cl.
What is the InChIKey of 4-pyrazol-1-yl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is XYRSFHSOBKZFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O.ClH/c1-14-11-17(19-18(12-14)15(2)16(3)25-19)13-23-20(27)21(5-8-22-9-6-21)26-10-4-7-24-26;/h4,7,10-12,22,25H,5-6,8-9,13H2,1-3H3,(H,23,27);1H.
What are the key properties of 4-pyrazol-1-yl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]piperidine-4-carboxamide;hydrochloride?
4-pyrazol-1-yl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 401.94 g/mol, XLogP of 3.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120928380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).