3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C20H28ClN3O3 — CID 119724563

IUPAC3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)C2C3CCC(C3)C2N)cc1N1CCCCC1=O.Cl
InChIInChI=1S/C20H27N3O3.ClH/c1-26-16-8-7-14(11-15(16)23-9-3-2-4-17(23)24)22-20(25)18-12-5-6-13(10-12)19(18)21;/h7-8,11-13,18-19H,2-6,9-10,21H2,1H3,(H,22,25);1H
InChIKeyGLECJGDKADVXSN-UHFFFAOYSA-N
MW393.92 g/mol
LogP2.95
Rot. Bonds4

About 3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119724563) has the molecular formula C20H28ClN3O3 and a molecular weight of 393.92 g/mol. Its IUPAC name is 3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119724563
Molecular FormulaC20H28ClN3O3
Molecular Weight393.92 g/mol
Exact Mass393.18
IUPAC Name3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)C2C3CCC(C3)C2N)cc1N1CCCCC1=O.Cl
InChIInChI=1S/C20H27N3O3.ClH/c1-26-16-8-7-14(11-15(16)23-9-3-2-4-17(23)24)22-20(25)18-12-5-6-13(10-12)19(18)21;/h7-8,11-13,18-19H,2-6,9-10,21H2,1H3,(H,22,25);1H
InChIKeyGLECJGDKADVXSN-UHFFFAOYSA-N
XLogP2.95
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119724563) is 3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is COc1ccc(NC(=O)C2C3CCC(C3)C2N)cc1N1CCCCC1=O.Cl.
What is the InChIKey of 3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is GLECJGDKADVXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3.ClH/c1-26-16-8-7-14(11-15(16)23-9-3-2-4-17(23)24)22-20(25)18-12-5-6-13(10-12)19(18)21;/h7-8,11-13,18-19H,2-6,9-10,21H2,1H3,(H,22,25);1H.
What are the key properties of 3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 393.92 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119724563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).