1-[5-bromo-2-[(4-hydroxy-4-methylcyclohexyl)amino]phenyl]-6-oxopiperidine-2-carboxamide

C19H26BrN3O3 — CID 153426411

IUPAC1-[5-bromo-2-[(4-hydroxy-4-methylcyclohexyl)amino]phenyl]-6-oxopiperidine-2-carboxamide
SMILESCC1(O)CCC(Nc2ccc(Br)cc2N2C(=O)CCCC2C(N)=O)CC1
InChIInChI=1S/C19H26BrN3O3/c1-19(26)9-7-13(8-10-19)22-14-6-5-12(20)11-16(14)23-15(18(21)25)3-2-4-17(23)24/h5-6,11,13,15,22,26H,2-4,7-10H2,1H3,(H2,21,25)
InChIKeyBDMRGXUXYSTVOP-UHFFFAOYSA-N
MW424.34 g/mol
LogP2.93
Rot. Bonds4

About 1-[5-bromo-2-[(4-hydroxy-4-methylcyclohexyl)amino]phenyl]-6-oxopiperidine-2-carboxamide

1-[5-bromo-2-[(4-hydroxy-4-methylcyclohexyl)amino]phenyl]-6-oxopiperidine-2-carboxamide (PubChem CID 153426411) has the molecular formula C19H26BrN3O3 and a molecular weight of 424.34 g/mol. Its IUPAC name is 1-[5-bromo-2-[(4-hydroxy-4-methylcyclohexyl)amino]phenyl]-6-oxopiperidine-2-carboxamide.

Molecular Properties

Compound Name1-[5-bromo-2-[(4-hydroxy-4-methylcyclohexyl)amino]phenyl]-6-oxopiperidine-2-carboxamide
PubChem CID153426411
Molecular FormulaC19H26BrN3O3
Molecular Weight424.34 g/mol
Exact Mass423.12
IUPAC Name1-[5-bromo-2-[(4-hydroxy-4-methylcyclohexyl)amino]phenyl]-6-oxopiperidine-2-carboxamide
SMILESCC1(O)CCC(Nc2ccc(Br)cc2N2C(=O)CCCC2C(N)=O)CC1
InChIInChI=1S/C19H26BrN3O3/c1-19(26)9-7-13(8-10-19)22-14-6-5-12(20)11-16(14)23-15(18(21)25)3-2-4-17(23)24/h5-6,11,13,15,22,26H,2-4,7-10H2,1H3,(H2,21,25)
InChIKeyBDMRGXUXYSTVOP-UHFFFAOYSA-N
XLogP2.93
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.34
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[(4-hydroxy-4-methylcyclohexyl)amino]phenyl]-6-oxopiperidine-2-carboxamide?
The IUPAC name of 1-[5-bromo-2-[(4-hydroxy-4-methylcyclohexyl)amino]phenyl]-6-oxopiperidine-2-carboxamide (CID 153426411) is 1-[5-bromo-2-[(4-hydroxy-4-methylcyclohexyl)amino]phenyl]-6-oxopiperidine-2-carboxamide.
What is the SMILES notation for 1-[5-bromo-2-[(4-hydroxy-4-methylcyclohexyl)amino]phenyl]-6-oxopiperidine-2-carboxamide?
The canonical SMILES for 1-[5-bromo-2-[(4-hydroxy-4-methylcyclohexyl)amino]phenyl]-6-oxopiperidine-2-carboxamide is CC1(O)CCC(Nc2ccc(Br)cc2N2C(=O)CCCC2C(N)=O)CC1.
What is the InChIKey of 1-[5-bromo-2-[(4-hydroxy-4-methylcyclohexyl)amino]phenyl]-6-oxopiperidine-2-carboxamide?
The InChIKey is BDMRGXUXYSTVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26BrN3O3/c1-19(26)9-7-13(8-10-19)22-14-6-5-12(20)11-16(14)23-15(18(21)25)3-2-4-17(23)24/h5-6,11,13,15,22,26H,2-4,7-10H2,1H3,(H2,21,25).
What are the key properties of 1-[5-bromo-2-[(4-hydroxy-4-methylcyclohexyl)amino]phenyl]-6-oxopiperidine-2-carboxamide?
1-[5-bromo-2-[(4-hydroxy-4-methylcyclohexyl)amino]phenyl]-6-oxopiperidine-2-carboxamide has a molecular weight of 424.34 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[(4-hydroxy-4-methylcyclohexyl)amino]phenyl]-6-oxopiperidine-2-carboxamide is sourced from PubChem (CID 153426411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).