N-(2-bromo-4,5-dimethoxyphenyl)-3-hydroxypiperidine-1-carboxamide

C14H19BrN2O4 — CID 60569756

IUPACN-(2-bromo-4,5-dimethoxyphenyl)-3-hydroxypiperidine-1-carboxamide
SMILESCOc1cc(Br)c(NC(=O)N2CCCC(O)C2)cc1OC
InChIInChI=1S/C14H19BrN2O4/c1-20-12-6-10(15)11(7-13(12)21-2)16-14(19)17-5-3-4-9(18)8-17/h6-7,9,18H,3-5,8H2,1-2H3,(H,16,19)
InChIKeyCXRHOOGLCLEAQZ-UHFFFAOYSA-N
MW359.22 g/mol
LogP2.45
Rot. Bonds3

About N-(2-bromo-4,5-dimethoxyphenyl)-3-hydroxypiperidine-1-carboxamide

N-(2-bromo-4,5-dimethoxyphenyl)-3-hydroxypiperidine-1-carboxamide (PubChem CID 60569756) has the molecular formula C14H19BrN2O4 and a molecular weight of 359.22 g/mol. Its IUPAC name is N-(2-bromo-4,5-dimethoxyphenyl)-3-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4,5-dimethoxyphenyl)-3-hydroxypiperidine-1-carboxamide
PubChem CID60569756
Molecular FormulaC14H19BrN2O4
Molecular Weight359.22 g/mol
Exact Mass358.05
IUPAC NameN-(2-bromo-4,5-dimethoxyphenyl)-3-hydroxypiperidine-1-carboxamide
SMILESCOc1cc(Br)c(NC(=O)N2CCCC(O)C2)cc1OC
InChIInChI=1S/C14H19BrN2O4/c1-20-12-6-10(15)11(7-13(12)21-2)16-14(19)17-5-3-4-9(18)8-17/h6-7,9,18H,3-5,8H2,1-2H3,(H,16,19)
InChIKeyCXRHOOGLCLEAQZ-UHFFFAOYSA-N
XLogP2.45
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-cyano-2-methoxyphenyl)-3-hydroxypiperidine-1-carboxamide
CID 49286927
1-[(2,4,5-trimethoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122087120
(3R)-3-hydroxy-N-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide
CID 95601514
N-[(3-bromo-4-methoxyphenyl)methyl]-3-hydroxypiperidine-1-carboxamide
CID 110922318
(3R)-N-(2-bromo-4,5-dimethoxyphenyl)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazine-1-carboxamide
CID 97094456
(3R)-3-hydroxy-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide
CID 111431556
N-(4-bromo-2,6-dimethylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47223501
(2-amino-4,5-dimethoxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211722
(3R)-N-(5-chloro-2-methoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430962
(3S)-3-hydroxy-N-[2-(methoxymethyl)phenyl]piperidine-1-carboxamide
CID 94081574
2-(5-bromo-2-methoxyphenyl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 115276974
N-(5-bromo-2-methoxyphenyl)-3-ethoxypiperidine-1-carboxamide
CID 47749354

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,5-dimethoxyphenyl)-3-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-(2-bromo-4,5-dimethoxyphenyl)-3-hydroxypiperidine-1-carboxamide (CID 60569756) is N-(2-bromo-4,5-dimethoxyphenyl)-3-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-(2-bromo-4,5-dimethoxyphenyl)-3-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-(2-bromo-4,5-dimethoxyphenyl)-3-hydroxypiperidine-1-carboxamide is COc1cc(Br)c(NC(=O)N2CCCC(O)C2)cc1OC.
What is the InChIKey of N-(2-bromo-4,5-dimethoxyphenyl)-3-hydroxypiperidine-1-carboxamide?
The InChIKey is CXRHOOGLCLEAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O4/c1-20-12-6-10(15)11(7-13(12)21-2)16-14(19)17-5-3-4-9(18)8-17/h6-7,9,18H,3-5,8H2,1-2H3,(H,16,19).
What are the key properties of N-(2-bromo-4,5-dimethoxyphenyl)-3-hydroxypiperidine-1-carboxamide?
N-(2-bromo-4,5-dimethoxyphenyl)-3-hydroxypiperidine-1-carboxamide has a molecular weight of 359.22 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,5-dimethoxyphenyl)-3-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 60569756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).