1-amino-N-[3-(2-oxopiperidin-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride

C18H26ClN3O2 — CID 119290019

IUPAC1-amino-N-[3-(2-oxopiperidin-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2cccc(N3CCCCC3=O)c2)CCCCC1
InChIInChI=1S/C18H25N3O2.ClH/c19-18(10-3-1-4-11-18)17(23)20-14-7-6-8-15(13-14)21-12-5-2-9-16(21)22;/h6-8,13H,1-5,9-12,19H2,(H,20,23);1H
InChIKeyPQBUVLLDTBHZLI-UHFFFAOYSA-N
MW351.88 g/mol
LogP3.23
Rot. Bonds3

About 1-amino-N-[3-(2-oxopiperidin-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride

1-amino-N-[3-(2-oxopiperidin-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119290019) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 1-amino-N-[3-(2-oxopiperidin-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[3-(2-oxopiperidin-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119290019
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name1-amino-N-[3-(2-oxopiperidin-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2cccc(N3CCCCC3=O)c2)CCCCC1
InChIInChI=1S/C18H25N3O2.ClH/c19-18(10-3-1-4-11-18)17(23)20-14-7-6-8-15(13-14)21-12-5-2-9-16(21)22;/h6-8,13H,1-5,9-12,19H2,(H,20,23);1H
InChIKeyPQBUVLLDTBHZLI-UHFFFAOYSA-N
XLogP3.23
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]-3-phenylpropanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(2-oxopiperidin-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[3-(2-oxopiperidin-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride (CID 119290019) is 1-amino-N-[3-(2-oxopiperidin-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[3-(2-oxopiperidin-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[3-(2-oxopiperidin-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)Nc2cccc(N3CCCCC3=O)c2)CCCCC1.
What is the InChIKey of 1-amino-N-[3-(2-oxopiperidin-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is PQBUVLLDTBHZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.ClH/c19-18(10-3-1-4-11-18)17(23)20-14-7-6-8-15(13-14)21-12-5-2-9-16(21)22;/h6-8,13H,1-5,9-12,19H2,(H,20,23);1H.
What are the key properties of 1-amino-N-[3-(2-oxopiperidin-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-[3-(2-oxopiperidin-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(2-oxopiperidin-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119290019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).