1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride

C18H32ClN3O2 — CID 119733535

IUPAC1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride
SMILESCC(C)N(C)C(=O)C1CCN(C(=O)C2C3CCC(C3)C2N)CC1.Cl
InChIInChI=1S/C18H31N3O2.ClH/c1-11(2)20(3)17(22)12-6-8-21(9-7-12)18(23)15-13-4-5-14(10-13)16(15)19;/h11-16H,4-10,19H2,1-3H3;1H
InChIKeyGDLGUOFRMMNCDT-UHFFFAOYSA-N
MW357.93 g/mol
LogP1.89
Rot. Bonds3

About 1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride

1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 119733535) has the molecular formula C18H32ClN3O2 and a molecular weight of 357.93 g/mol. Its IUPAC name is 1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID119733535
Molecular FormulaC18H32ClN3O2
Molecular Weight357.93 g/mol
Exact Mass357.22
IUPAC Name1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride
SMILESCC(C)N(C)C(=O)C1CCN(C(=O)C2C3CCC(C3)C2N)CC1.Cl
InChIInChI=1S/C18H31N3O2.ClH/c1-11(2)20(3)17(22)12-6-8-21(9-7-12)18(23)15-13-4-5-14(10-13)16(15)19;/h11-16H,4-10,19H2,1-3H3;1H
InChIKeyGDLGUOFRMMNCDT-UHFFFAOYSA-N
XLogP1.89
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.93
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride with MolForge

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Related Compounds

[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
CID 119738138
N-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-N-methylacetamide
CID 119755021
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-methylpropoxy)piperidin-1-yl]methanone;hydrochloride
CID 119743024
1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-propylpiperidine-4-carboxamide;hydrochloride
CID 119702855
1-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-1,4-diazepan-1-yl]ethanone;hydrochloride
CID 119399343
(3-amino-2-bicyclo[2.2.1]heptanyl)-thiomorpholin-4-ylmethanone;hydrochloride
CID 119705162
(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 119781903
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone
CID 119851960
(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone;hydrochloride
CID 119789464
(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone;dihydrochloride
CID 119896677
1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-pentylpiperidine-4-carboxamide
CID 119720592
(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone
CID 119789465

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride (CID 119733535) is 1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride is CC(C)N(C)C(=O)C1CCN(C(=O)C2C3CCC(C3)C2N)CC1.Cl.
What is the InChIKey of 1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is GDLGUOFRMMNCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2.ClH/c1-11(2)20(3)17(22)12-6-8-21(9-7-12)18(23)15-13-4-5-14(10-13)16(15)19;/h11-16H,4-10,19H2,1-3H3;1H.
What are the key properties of 1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride?
1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 357.93 g/mol, XLogP of 1.89, 3 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)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119733535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).