N-(1-piperidin-3-ylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride

C16H27ClN2O — CID 119474123

IUPACN-(1-piperidin-3-ylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride
SMILESCC(NC(=O)C1C2C3CCC(C3)C12)C1CCCNC1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-9(12-3-2-6-17-8-12)18-16(19)15-13-10-4-5-11(7-10)14(13)15;/h9-15,17H,2-8H2,1H3,(H,18,19);1H
InChIKeyJSIJOYWSWFJISZ-UHFFFAOYSA-N
MW298.86 g/mol
LogP2.20
Rot. Bonds3

About N-(1-piperidin-3-ylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride

N-(1-piperidin-3-ylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride (PubChem CID 119474123) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is N-(1-piperidin-3-ylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-piperidin-3-ylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride
PubChem CID119474123
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC NameN-(1-piperidin-3-ylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride
SMILESCC(NC(=O)C1C2C3CCC(C3)C12)C1CCCNC1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-9(12-3-2-6-17-8-12)18-16(19)15-13-10-4-5-11(7-10)14(13)15;/h9-15,17H,2-8H2,1H3,(H,18,19);1H
InChIKeyJSIJOYWSWFJISZ-UHFFFAOYSA-N
XLogP2.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-amino-N-(1-piperidin-3-ylethyl)propanamide
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(2R)-2-amino-N-(1-piperidin-3-ylethyl)propanamide
CID 131038230
5-oxo-N-(1-piperidin-3-ylethyl)pyrrolidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-piperidin-3-ylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-piperidin-3-ylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride (CID 119474123) is N-(1-piperidin-3-ylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-piperidin-3-ylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-piperidin-3-ylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride is CC(NC(=O)C1C2C3CCC(C3)C12)C1CCCNC1.Cl.
What is the InChIKey of N-(1-piperidin-3-ylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride?
The InChIKey is JSIJOYWSWFJISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-9(12-3-2-6-17-8-12)18-16(19)15-13-10-4-5-11(7-10)14(13)15;/h9-15,17H,2-8H2,1H3,(H,18,19);1H.
What are the key properties of N-(1-piperidin-3-ylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride?
N-(1-piperidin-3-ylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-piperidin-3-ylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride is sourced from PubChem (CID 119474123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).