N-(4-methylpiperidin-4-yl)-2-oxa-6-azatricyclo[3.3.1.13,7]decane-6-carboxamide;hydrochloride

C15H26ClN3O2 — CID 69405586

IUPACN-(4-methylpiperidin-4-yl)-2-oxa-6-azatricyclo[3.3.1.13,7]decane-6-carboxamide;hydrochloride
SMILESCC1(NC(=O)N2C3CC4CC2CC(C3)O4)CCNCC1.Cl
InChIInChI=1S/C15H25N3O2.ClH/c1-15(2-4-16-5-3-15)17-14(19)18-10-6-12-8-11(18)9-13(7-10)20-12;/h10-13,16H,2-9H2,1H3,(H,17,19);1H
InChIKeyIELZHVPDBXLJHT-UHFFFAOYSA-N
MW315.85 g/mol
LogP1.65
Rot. Bonds1

About N-(4-methylpiperidin-4-yl)-2-oxa-6-azatricyclo[3.3.1.13,7]decane-6-carboxamide;hydrochloride

N-(4-methylpiperidin-4-yl)-2-oxa-6-azatricyclo[3.3.1.13,7]decane-6-carboxamide;hydrochloride (PubChem CID 69405586) has the molecular formula C15H26ClN3O2 and a molecular weight of 315.85 g/mol. Its IUPAC name is N-(4-methylpiperidin-4-yl)-2-oxa-6-azatricyclo[3.3.1.13,7]decane-6-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-methylpiperidin-4-yl)-2-oxa-6-azatricyclo[3.3.1.13,7]decane-6-carboxamide;hydrochloride
PubChem CID69405586
Molecular FormulaC15H26ClN3O2
Molecular Weight315.85 g/mol
Exact Mass315.17
IUPAC NameN-(4-methylpiperidin-4-yl)-2-oxa-6-azatricyclo[3.3.1.13,7]decane-6-carboxamide;hydrochloride
SMILESCC1(NC(=O)N2C3CC4CC2CC(C3)O4)CCNCC1.Cl
InChIInChI=1S/C15H25N3O2.ClH/c1-15(2-4-16-5-3-15)17-14(19)18-10-6-12-8-11(18)9-13(7-10)20-12;/h10-13,16H,2-9H2,1H3,(H,17,19);1H
InChIKeyIELZHVPDBXLJHT-UHFFFAOYSA-N
XLogP1.65
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperidin-4-yl)-2-oxa-6-azatricyclo[3.3.1.13,7]decane-6-carboxamide;hydrochloride?
The IUPAC name of N-(4-methylpiperidin-4-yl)-2-oxa-6-azatricyclo[3.3.1.13,7]decane-6-carboxamide;hydrochloride (CID 69405586) is N-(4-methylpiperidin-4-yl)-2-oxa-6-azatricyclo[3.3.1.13,7]decane-6-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-methylpiperidin-4-yl)-2-oxa-6-azatricyclo[3.3.1.13,7]decane-6-carboxamide;hydrochloride?
The canonical SMILES for N-(4-methylpiperidin-4-yl)-2-oxa-6-azatricyclo[3.3.1.13,7]decane-6-carboxamide;hydrochloride is CC1(NC(=O)N2C3CC4CC2CC(C3)O4)CCNCC1.Cl.
What is the InChIKey of N-(4-methylpiperidin-4-yl)-2-oxa-6-azatricyclo[3.3.1.13,7]decane-6-carboxamide;hydrochloride?
The InChIKey is IELZHVPDBXLJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2.ClH/c1-15(2-4-16-5-3-15)17-14(19)18-10-6-12-8-11(18)9-13(7-10)20-12;/h10-13,16H,2-9H2,1H3,(H,17,19);1H.
What are the key properties of N-(4-methylpiperidin-4-yl)-2-oxa-6-azatricyclo[3.3.1.13,7]decane-6-carboxamide;hydrochloride?
N-(4-methylpiperidin-4-yl)-2-oxa-6-azatricyclo[3.3.1.13,7]decane-6-carboxamide;hydrochloride has a molecular weight of 315.85 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperidin-4-yl)-2-oxa-6-azatricyclo[3.3.1.13,7]decane-6-carboxamide;hydrochloride is sourced from PubChem (CID 69405586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).