N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]cyclopropanecarboxamide

C13H17BrN4O — CID 155975360

IUPACN-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCCN(c2ncc(Br)cn2)C1)C1CC1
InChIInChI=1S/C13H17BrN4O/c14-10-6-15-13(16-7-10)18-5-1-2-11(8-18)17-12(19)9-3-4-9/h6-7,9,11H,1-5,8H2,(H,17,19)
InChIKeyLNELGIVBIHURRS-UHFFFAOYSA-N
MW325.21 g/mol
LogP1.73
Rot. Bonds3

About N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]cyclopropanecarboxamide

N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]cyclopropanecarboxamide (PubChem CID 155975360) has the molecular formula C13H17BrN4O and a molecular weight of 325.21 g/mol. Its IUPAC name is N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]cyclopropanecarboxamide
PubChem CID155975360
Molecular FormulaC13H17BrN4O
Molecular Weight325.21 g/mol
Exact Mass324.06
IUPAC NameN-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCCN(c2ncc(Br)cn2)C1)C1CC1
InChIInChI=1S/C13H17BrN4O/c14-10-6-15-13(16-7-10)18-5-1-2-11(8-18)17-12(19)9-3-4-9/h6-7,9,11H,1-5,8H2,(H,17,19)
InChIKeyLNELGIVBIHURRS-UHFFFAOYSA-N
XLogP1.73
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]carbamic acid
CID 135281348
N-[1-(5-methoxypyrimidin-2-yl)piperidin-3-yl]cyclobutanecarboxamide
CID 171335318
N-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]cyclopropanecarboxamide
CID 155975375
N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-4-carboxamide
CID 43712323
N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]cyclopropanecarboxamide
CID 155974212
(3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 6557829
1-(5-bromopyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 120964054
N-cyclopropyl-1-(5-ethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 166600796
[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166602420
N-cyclohexyl-1-(2-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53146198
(3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452540
N-(1-quinoxalin-2-ylpiperidin-3-yl)cyclopropanecarboxamide
CID 155975943

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]cyclopropanecarboxamide (CID 155975360) is N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]cyclopropanecarboxamide is O=C(NC1CCCN(c2ncc(Br)cn2)C1)C1CC1.
What is the InChIKey of N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]cyclopropanecarboxamide?
The InChIKey is LNELGIVBIHURRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O/c14-10-6-15-13(16-7-10)18-5-1-2-11(8-18)17-12(19)9-3-4-9/h6-7,9,11H,1-5,8H2,(H,17,19).
What are the key properties of N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]cyclopropanecarboxamide?
N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]cyclopropanecarboxamide has a molecular weight of 325.21 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 155975360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).