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

C17H30ClN3O2 — CID 119702855

IUPAC1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-propylpiperidine-4-carboxamide;hydrochloride
SMILESCCCNC(=O)C1CCN(C(=O)C2C3CCC(C3)C2N)CC1.Cl
InChIInChI=1S/C17H29N3O2.ClH/c1-2-7-19-16(21)11-5-8-20(9-6-11)17(22)14-12-3-4-13(10-12)15(14)18;/h11-15H,2-10,18H2,1H3,(H,19,21);1H
InChIKeyCXYIMENXNGPGIX-UHFFFAOYSA-N
MW343.90 g/mol
LogP1.55
Rot. Bonds4

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

1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-propylpiperidine-4-carboxamide;hydrochloride (PubChem CID 119702855) has the molecular formula C17H30ClN3O2 and a molecular weight of 343.90 g/mol. Its IUPAC name is 1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-propylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-propylpiperidine-4-carboxamide;hydrochloride
PubChem CID119702855
Molecular FormulaC17H30ClN3O2
Molecular Weight343.90 g/mol
Exact Mass343.20
IUPAC Name1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-propylpiperidine-4-carboxamide;hydrochloride
SMILESCCCNC(=O)C1CCN(C(=O)C2C3CCC(C3)C2N)CC1.Cl
InChIInChI=1S/C17H29N3O2.ClH/c1-2-7-19-16(21)11-5-8-20(9-6-11)17(22)14-12-3-4-13(10-12)15(14)18;/h11-15H,2-10,18H2,1H3,(H,19,21);1H
InChIKeyCXYIMENXNGPGIX-UHFFFAOYSA-N
XLogP1.55
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.90
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-pentylpiperidine-4-carboxamide
CID 119720592
[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
CID 119738138
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone
CID 119851960
2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119843973
1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride
CID 119733535
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)-[4-(2-methylpropoxy)piperidin-1-yl]methanone;hydrochloride
CID 119743024
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)-[3-(ethoxymethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119814328
1-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 119876003
2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone;dihydrochloride
CID 119837255

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-propylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-propylpiperidine-4-carboxamide;hydrochloride (CID 119702855) is 1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-propylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-propylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-propylpiperidine-4-carboxamide;hydrochloride is CCCNC(=O)C1CCN(C(=O)C2C3CCC(C3)C2N)CC1.Cl.
What is the InChIKey of 1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-propylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is CXYIMENXNGPGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2.ClH/c1-2-7-19-16(21)11-5-8-20(9-6-11)17(22)14-12-3-4-13(10-12)15(14)18;/h11-15H,2-10,18H2,1H3,(H,19,21);1H.
What are the key properties of 1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-propylpiperidine-4-carboxamide;hydrochloride?
1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-propylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 343.90 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 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-propylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119702855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).