2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(cyclohexylmethyl)pyrazol-3-yl]acetamide;dihydrochloride

C19H35Cl2N5O — CID 120775470

IUPAC2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(cyclohexylmethyl)pyrazol-3-yl]acetamide;dihydrochloride
SMILESCC1(C)CN(CC(=O)Nc2ccnn2CC2CCCCC2)CCC1N.Cl.Cl
InChIInChI=1S/C19H33N5O.2ClH/c1-19(2)14-23(11-9-16(19)20)13-18(25)22-17-8-10-21-24(17)12-15-6-4-3-5-7-15;;/h8,10,15-16H,3-7,9,11-14,20H2,1-2H3,(H,22,25);2*1H
InChIKeyLLPXMUFLRXEJQA-UHFFFAOYSA-N
MW420.43 g/mol
LogP3.30
Rot. Bonds5

About 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(cyclohexylmethyl)pyrazol-3-yl]acetamide;dihydrochloride

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(cyclohexylmethyl)pyrazol-3-yl]acetamide;dihydrochloride (PubChem CID 120775470) has the molecular formula C19H35Cl2N5O and a molecular weight of 420.43 g/mol. Its IUPAC name is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(cyclohexylmethyl)pyrazol-3-yl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(cyclohexylmethyl)pyrazol-3-yl]acetamide;dihydrochloride
PubChem CID120775470
Molecular FormulaC19H35Cl2N5O
Molecular Weight420.43 g/mol
Exact Mass419.22
IUPAC Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(cyclohexylmethyl)pyrazol-3-yl]acetamide;dihydrochloride
SMILESCC1(C)CN(CC(=O)Nc2ccnn2CC2CCCCC2)CCC1N.Cl.Cl
InChIInChI=1S/C19H33N5O.2ClH/c1-19(2)14-23(11-9-16(19)20)13-18(25)22-17-8-10-21-24(17)12-15-6-4-3-5-7-15;;/h8,10,15-16H,3-7,9,11-14,20H2,1-2H3,(H,22,25);2*1H
InChIKeyLLPXMUFLRXEJQA-UHFFFAOYSA-N
XLogP3.30
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(cyclohexylmethyl)pyrazol-3-yl]acetamide;dihydrochloride?
The IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(cyclohexylmethyl)pyrazol-3-yl]acetamide;dihydrochloride (CID 120775470) is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(cyclohexylmethyl)pyrazol-3-yl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(cyclohexylmethyl)pyrazol-3-yl]acetamide;dihydrochloride?
The canonical SMILES for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(cyclohexylmethyl)pyrazol-3-yl]acetamide;dihydrochloride is CC1(C)CN(CC(=O)Nc2ccnn2CC2CCCCC2)CCC1N.Cl.Cl.
What is the InChIKey of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(cyclohexylmethyl)pyrazol-3-yl]acetamide;dihydrochloride?
The InChIKey is LLPXMUFLRXEJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O.2ClH/c1-19(2)14-23(11-9-16(19)20)13-18(25)22-17-8-10-21-24(17)12-15-6-4-3-5-7-15;;/h8,10,15-16H,3-7,9,11-14,20H2,1-2H3,(H,22,25);2*1H.
What are the key properties of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(cyclohexylmethyl)pyrazol-3-yl]acetamide;dihydrochloride?
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(cyclohexylmethyl)pyrazol-3-yl]acetamide;dihydrochloride has a molecular weight of 420.43 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(cyclohexylmethyl)pyrazol-3-yl]acetamide;dihydrochloride is sourced from PubChem (CID 120775470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).