1-(3-bromo-4-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide

C14H18BrN3O — CID 163343619

IUPAC1-(3-bromo-4-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(c2ccncc2Br)CC1
InChIInChI=1S/C14H18BrN3O/c15-12-9-16-6-3-13(12)18-7-4-10(5-8-18)14(19)17-11-1-2-11/h3,6,9-11H,1-2,4-5,7-8H2,(H,17,19)
InChIKeyITZWGCNILIHHOW-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.34
Rot. Bonds3

About 1-(3-bromo-4-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide

1-(3-bromo-4-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide (PubChem CID 163343619) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 1-(3-bromo-4-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-bromo-4-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
PubChem CID163343619
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name1-(3-bromo-4-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(c2ccncc2Br)CC1
InChIInChI=1S/C14H18BrN3O/c15-12-9-16-6-3-13(12)18-7-4-10(5-8-18)14(19)17-11-1-2-11/h3,6,9-11H,1-2,4-5,7-8H2,(H,17,19)
InChIKeyITZWGCNILIHHOW-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

N-[1-(3-bromo-4-pyridinyl)piperidin-4-yl]pyridine-4-carboxamide
CID 172901933
N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]cyclohexanecarboxamide
CID 133351817
1-(3-bromo-4-pyridinyl)piperidin-4-ol
CID 104777750
1-(3-chloro-4-pyridinyl)-N-cyclopropylpiperidine-3-carboxamide
CID 165434408
(3aR,8aS)-6-(3-bromo-4-pyridinyl)-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine
CID 128843555
3-bromo-4-(4-methoxypiperidin-1-yl)pyridine
CID 104778046
2-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 24719003
(3S)-1-(3-bromo-4-pyridinyl)pyrrolidin-3-amine
CID 124595065
N-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]propan-1-amine
CID 104779258
N-cycloheptyl-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53165628
1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)-N-cyclopropylpiperidine-4-carboxamide
CID 163345409
2-[1-(3-bromo-4-pyridinyl)piperidin-4-yl]-N-methylethanamine
CID 113452072

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide?
The IUPAC name of 1-(3-bromo-4-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide (CID 163343619) is 1-(3-bromo-4-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3-bromo-4-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3-bromo-4-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide is O=C(NC1CC1)C1CCN(c2ccncc2Br)CC1.
What is the InChIKey of 1-(3-bromo-4-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide?
The InChIKey is ITZWGCNILIHHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c15-12-9-16-6-3-13(12)18-7-4-10(5-8-18)14(19)17-11-1-2-11/h3,6,9-11H,1-2,4-5,7-8H2,(H,17,19).
What are the key properties of 1-(3-bromo-4-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide?
1-(3-bromo-4-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide 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 1-(3-bromo-4-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide is sourced from PubChem (CID 163343619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).