N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride

C21H34ClN5O2 — CID 120988415

IUPACN-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride
SMILESCl.Cn1cc(C(=O)NCC2CCN(C(=O)C3CC4CCCC(C3)C4N)CC2)cn1
InChIInChI=1S/C21H33N5O2.ClH/c1-25-13-18(12-24-25)20(27)23-11-14-5-7-26(8-6-14)21(28)17-9-15-3-2-4-16(10-17)19(15)22;/h12-17,19H,2-11,22H2,1H3,(H,23,27);1H
InChIKeyOZERISOWMVJQAF-UHFFFAOYSA-N
MW423.99 g/mol
LogP1.96
Rot. Bonds4

About N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride

N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride (PubChem CID 120988415) has the molecular formula C21H34ClN5O2 and a molecular weight of 423.99 g/mol. Its IUPAC name is N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride
PubChem CID120988415
Molecular FormulaC21H34ClN5O2
Molecular Weight423.99 g/mol
Exact Mass423.24
IUPAC NameN-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride
SMILESCl.Cn1cc(C(=O)NCC2CCN(C(=O)C3CC4CCCC(C3)C4N)CC2)cn1
InChIInChI=1S/C21H33N5O2.ClH/c1-25-13-18(12-24-25)20(27)23-11-14-5-7-26(8-6-14)21(28)17-9-15-3-2-4-16(10-17)19(15)22;/h12-17,19H,2-11,22H2,1H3,(H,23,27);1H
InChIKeyOZERISOWMVJQAF-UHFFFAOYSA-N
XLogP1.96
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.99
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride
CID 119765291
N-[[1-(2-aminopentanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride
CID 119312996
tert-butyl 4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 60618226
N-[[1-(2-aminopentanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 119312997
N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-3-yl]methyl]benzamide;hydrochloride
CID 120991771
N-[[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride
CID 119950991
(9-amino-3-bicyclo[3.3.1]nonanyl)-(4-ethylpiperidin-1-yl)methanone
CID 120986818
N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-3-yl]methyl]benzamide
CID 120991772
(9-amino-3-bicyclo[3.3.1]nonanyl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone;hydrochloride
CID 120993203
N-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 119312989
N-[[1-(2-cyclohexyl-2-hydroxyethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 119046469
(9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone;hydrochloride
CID 120983573

Frequently Asked Questions

What is the IUPAC name of N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride (CID 120988415) is N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride is Cl.Cn1cc(C(=O)NCC2CCN(C(=O)C3CC4CCCC(C3)C4N)CC2)cn1.
What is the InChIKey of N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is OZERISOWMVJQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2.ClH/c1-25-13-18(12-24-25)20(27)23-11-14-5-7-26(8-6-14)21(28)17-9-15-3-2-4-16(10-17)19(15)22;/h12-17,19H,2-11,22H2,1H3,(H,23,27);1H.
What are the key properties of N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride?
N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 423.99 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120988415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).