N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]cyclopropanecarboxamide

C14H18BrN3O — CID 155974212

IUPACN-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCCN(c2ncccc2Br)C1)C1CC1
InChIInChI=1S/C14H18BrN3O/c15-12-4-1-7-16-13(12)18-8-2-3-11(9-18)17-14(19)10-5-6-10/h1,4,7,10-11H,2-3,5-6,8-9H2,(H,17,19)
InChIKeyLQBRVTYJIHKGRJ-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.34
Rot. Bonds3

About N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]cyclopropanecarboxamide

N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]cyclopropanecarboxamide (PubChem CID 155974212) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]cyclopropanecarboxamide
PubChem CID155974212
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC NameN-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCCN(c2ncccc2Br)C1)C1CC1
InChIInChI=1S/C14H18BrN3O/c15-12-4-1-7-16-13(12)18-8-2-3-11(9-18)17-14(19)10-5-6-10/h1,4,7,10-11H,2-3,5-6,8-9H2,(H,17,19)
InChIKeyLQBRVTYJIHKGRJ-UHFFFAOYSA-N
XLogP2.34
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(3-Bromopyridin-2-yl)piperazine
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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]cyclopropanecarboxamide (CID 155974212) is N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]cyclopropanecarboxamide is O=C(NC1CCCN(c2ncccc2Br)C1)C1CC1.
What is the InChIKey of N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]cyclopropanecarboxamide?
The InChIKey is LQBRVTYJIHKGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c15-12-4-1-7-16-13(12)18-8-2-3-11(9-18)17-14(19)10-5-6-10/h1,4,7,10-11H,2-3,5-6,8-9H2,(H,17,19).
What are the key properties of N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]cyclopropanecarboxamide?
N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]cyclopropanecarboxamide has a molecular weight of 324.22 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 155974212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).