N-[(5-bromopyrimidin-2-yl)methyl]-4-hydroxy-3,3-dimethylpiperidine-1-carboxamide

C13H19BrN4O2 — CID 138020287

IUPACN-[(5-bromopyrimidin-2-yl)methyl]-4-hydroxy-3,3-dimethylpiperidine-1-carboxamide
SMILESCC1(C)CN(C(=O)NCc2ncc(Br)cn2)CCC1O
InChIInChI=1S/C13H19BrN4O2/c1-13(2)8-18(4-3-10(13)19)12(20)17-7-11-15-5-9(14)6-16-11/h5-6,10,19H,3-4,7-8H2,1-2H3,(H,17,20)
InChIKeyGSSMJXILBGXJHU-UHFFFAOYSA-N
MW343.23 g/mol
LogP1.54
Rot. Bonds2

About N-[(5-bromopyrimidin-2-yl)methyl]-4-hydroxy-3,3-dimethylpiperidine-1-carboxamide

N-[(5-bromopyrimidin-2-yl)methyl]-4-hydroxy-3,3-dimethylpiperidine-1-carboxamide (PubChem CID 138020287) has the molecular formula C13H19BrN4O2 and a molecular weight of 343.23 g/mol. Its IUPAC name is N-[(5-bromopyrimidin-2-yl)methyl]-4-hydroxy-3,3-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(5-bromopyrimidin-2-yl)methyl]-4-hydroxy-3,3-dimethylpiperidine-1-carboxamide
PubChem CID138020287
Molecular FormulaC13H19BrN4O2
Molecular Weight343.23 g/mol
Exact Mass342.07
IUPAC NameN-[(5-bromopyrimidin-2-yl)methyl]-4-hydroxy-3,3-dimethylpiperidine-1-carboxamide
SMILESCC1(C)CN(C(=O)NCc2ncc(Br)cn2)CCC1O
InChIInChI=1S/C13H19BrN4O2/c1-13(2)8-18(4-3-10(13)19)12(20)17-7-11-15-5-9(14)6-16-11/h5-6,10,19H,3-4,7-8H2,1-2H3,(H,17,20)
InChIKeyGSSMJXILBGXJHU-UHFFFAOYSA-N
XLogP1.54
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-hydroxy-3,3-dimethylpiperidine-1-carboxylate
CID 115269670
(4-hydroxy-3,3-dimethylpiperidin-1-yl)-(1-methylpyrrolidin-3-yl)methanone
CID 115276519
(5-bromo-1,2-dihydropyridin-2-yl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone
CID 163476612
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-bromo-2-pyridinyl)methanone
CID 120816364
(5-bromo-2-fluorophenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone
CID 115276511
1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-(1-methylpyrrolidin-3-yl)ethanone
CID 115276536
4-(5-bromopyrimidin-2-yl)-N-ethylpiperazine-1-carboxamide
CID 47252261
1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 115276545
1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 106403250
tert-butyl N-[(2S)-1-[4-(5-bromopyrimidin-2-yl)oxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 91579107
4-[(6R)-9-chloro-6-hydroxy-5-methyl-3,4-diazatricyclo[5.3.1.04,11]undeca-1(11),2,7,9-tetraen-5-yl]-N-(pyrimidin-2-ylmethyl)piperidine-1-carboxamide
CID 139547969
N-(1H-imidazol-2-ylmethyl)-4-methylpiperidine-1-carboxamide
CID 79163270

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromopyrimidin-2-yl)methyl]-4-hydroxy-3,3-dimethylpiperidine-1-carboxamide?
The IUPAC name of N-[(5-bromopyrimidin-2-yl)methyl]-4-hydroxy-3,3-dimethylpiperidine-1-carboxamide (CID 138020287) is N-[(5-bromopyrimidin-2-yl)methyl]-4-hydroxy-3,3-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(5-bromopyrimidin-2-yl)methyl]-4-hydroxy-3,3-dimethylpiperidine-1-carboxamide?
The canonical SMILES for N-[(5-bromopyrimidin-2-yl)methyl]-4-hydroxy-3,3-dimethylpiperidine-1-carboxamide is CC1(C)CN(C(=O)NCc2ncc(Br)cn2)CCC1O.
What is the InChIKey of N-[(5-bromopyrimidin-2-yl)methyl]-4-hydroxy-3,3-dimethylpiperidine-1-carboxamide?
The InChIKey is GSSMJXILBGXJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O2/c1-13(2)8-18(4-3-10(13)19)12(20)17-7-11-15-5-9(14)6-16-11/h5-6,10,19H,3-4,7-8H2,1-2H3,(H,17,20).
What are the key properties of N-[(5-bromopyrimidin-2-yl)methyl]-4-hydroxy-3,3-dimethylpiperidine-1-carboxamide?
N-[(5-bromopyrimidin-2-yl)methyl]-4-hydroxy-3,3-dimethylpiperidine-1-carboxamide has a molecular weight of 343.23 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromopyrimidin-2-yl)methyl]-4-hydroxy-3,3-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 138020287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).