[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride

C20H34ClN3O2 — CID 119738138

IUPAC[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
SMILESCC1CCN(C(=O)C2CCN(C(=O)C3C4CCC(C4)C3N)CC2)CC1.Cl
InChIInChI=1S/C20H33N3O2.ClH/c1-13-4-8-22(9-5-13)19(24)14-6-10-23(11-7-14)20(25)17-15-2-3-16(12-15)18(17)21;/h13-18H,2-12,21H2,1H3;1H
InChIKeyNZVHMIVCPGMYPI-UHFFFAOYSA-N
MW383.96 g/mol
LogP2.28
Rot. Bonds2

About [1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride

[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride (PubChem CID 119738138) has the molecular formula C20H34ClN3O2 and a molecular weight of 383.96 g/mol. Its IUPAC name is [1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
PubChem CID119738138
Molecular FormulaC20H34ClN3O2
Molecular Weight383.96 g/mol
Exact Mass383.23
IUPAC Name[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
SMILESCC1CCN(C(=O)C2CCN(C(=O)C3C4CCC(C4)C3N)CC2)CC1.Cl
InChIInChI=1S/C20H33N3O2.ClH/c1-13-4-8-22(9-5-13)19(24)14-6-10-23(11-7-14)20(25)17-15-2-3-16(12-15)18(17)21;/h13-18H,2-12,21H2,1H3;1H
InChIKeyNZVHMIVCPGMYPI-UHFFFAOYSA-N
XLogP2.28
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.96
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of [1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride (CID 119738138) is [1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for [1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride is CC1CCN(C(=O)C2CCN(C(=O)C3C4CCC(C4)C3N)CC2)CC1.Cl.
What is the InChIKey of [1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride?
The InChIKey is NZVHMIVCPGMYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2.ClH/c1-13-4-8-22(9-5-13)19(24)14-6-10-23(11-7-14)20(25)17-15-2-3-16(12-15)18(17)21;/h13-18H,2-12,21H2,1H3;1H.
What are the key properties of [1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride?
[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride has a molecular weight of 383.96 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119738138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).