N-[[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride

C19H30ClN5O2 — CID 119765291

IUPACN-[[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride
SMILESCl.Cn1cc(C(=O)NCC2CCN(C(=O)C3C4CCC(C4)C3N)CC2)cn1
InChIInChI=1S/C19H29N5O2.ClH/c1-23-11-15(10-22-23)18(25)21-9-12-4-6-24(7-5-12)19(26)16-13-2-3-14(8-13)17(16)20;/h10-14,16-17H,2-9,20H2,1H3,(H,21,25);1H
InChIKeyJVFIWJAGPVKYTH-UHFFFAOYSA-N
MW395.94 g/mol
LogP1.18
Rot. Bonds4

About N-[[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride

N-[[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119765291) has the molecular formula C19H30ClN5O2 and a molecular weight of 395.94 g/mol. Its IUPAC name is N-[[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride
PubChem CID119765291
Molecular FormulaC19H30ClN5O2
Molecular Weight395.94 g/mol
Exact Mass395.21
IUPAC NameN-[[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride
SMILESCl.Cn1cc(C(=O)NCC2CCN(C(=O)C3C4CCC(C4)C3N)CC2)cn1
InChIInChI=1S/C19H29N5O2.ClH/c1-23-11-15(10-22-23)18(25)21-9-12-4-6-24(7-5-12)19(26)16-13-2-3-14(8-13)17(16)20;/h10-14,16-17H,2-9,20H2,1H3,(H,21,25);1H
InChIKeyJVFIWJAGPVKYTH-UHFFFAOYSA-N
XLogP1.18
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.94
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride (CID 119765291) is N-[[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride is Cl.Cn1cc(C(=O)NCC2CCN(C(=O)C3C4CCC(C4)C3N)CC2)cn1.
What is the InChIKey of N-[[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is JVFIWJAGPVKYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2.ClH/c1-23-11-15(10-22-23)18(25)21-9-12-4-6-24(7-5-12)19(26)16-13-2-3-14(8-13)17(16)20;/h10-14,16-17H,2-9,20H2,1H3,(H,21,25);1H.
What are the key properties of N-[[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride?
N-[[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 395.94 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119765291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).