1-(5-bromo-4-methoxypyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide

C14H21BrN4O2 — CID 171992933

IUPAC1-(5-bromo-4-methoxypyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide
SMILESCOc1nc(N2CCC(C(=O)NC(C)C)CC2)ncc1Br
InChIInChI=1S/C14H21BrN4O2/c1-9(2)17-12(20)10-4-6-19(7-5-10)14-16-8-11(15)13(18-14)21-3/h8-10H,4-7H2,1-3H3,(H,17,20)
InChIKeyLGGRTUASJAXUTL-UHFFFAOYSA-N
MW357.25 g/mol
LogP1.99
Rot. Bonds4

About 1-(5-bromo-4-methoxypyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide

1-(5-bromo-4-methoxypyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 171992933) has the molecular formula C14H21BrN4O2 and a molecular weight of 357.25 g/mol. Its IUPAC name is 1-(5-bromo-4-methoxypyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-4-methoxypyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID171992933
Molecular FormulaC14H21BrN4O2
Molecular Weight357.25 g/mol
Exact Mass356.08
IUPAC Name1-(5-bromo-4-methoxypyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide
SMILESCOc1nc(N2CCC(C(=O)NC(C)C)CC2)ncc1Br
InChIInChI=1S/C14H21BrN4O2/c1-9(2)17-12(20)10-4-6-19(7-5-10)14-16-8-11(15)13(18-14)21-3/h8-10H,4-7H2,1-3H3,(H,17,20)
InChIKeyLGGRTUASJAXUTL-UHFFFAOYSA-N
XLogP1.99
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromo-4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 171690356
[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 155974138
5-bromo-4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 103746059
5-bromo-4-methoxy-2-pyrrolidin-1-ylpyrimidine
CID 103726579
1-[2-(azepan-1-yl)pyrimidin-5-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 53146285
[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]methanol
CID 103726655
N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyrazine-2-carboxamide
CID 172901024
4-(5-bromo-4-methoxypyrimidin-2-yl)-N-methylmorpholine-2-carboxamide
CID 166600832
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]ethanone
CID 172881124
5-bromo-2-(3,4-dimethylpiperidin-1-yl)-4-methoxypyrimidine
CID 103878203
2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]ethanamine
CID 106998160
4-(5-bromo-4-methoxypyrimidin-2-yl)-1,4-thiazinane 1,1-dioxide
CID 103745953

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methoxypyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-bromo-4-methoxypyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide (CID 171992933) is 1-(5-bromo-4-methoxypyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-bromo-4-methoxypyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-bromo-4-methoxypyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide is COc1nc(N2CCC(C(=O)NC(C)C)CC2)ncc1Br.
What is the InChIKey of 1-(5-bromo-4-methoxypyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is LGGRTUASJAXUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4O2/c1-9(2)17-12(20)10-4-6-19(7-5-10)14-16-8-11(15)13(18-14)21-3/h8-10H,4-7H2,1-3H3,(H,17,20).
What are the key properties of 1-(5-bromo-4-methoxypyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide?
1-(5-bromo-4-methoxypyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 357.25 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methoxypyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 171992933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).