1-(3-bromo-5-chloro-4-pyridinyl)-4-fluoropiperidine-4-carboxamide

C11H12BrClFN3O — CID 118408029

IUPAC1-(3-bromo-5-chloro-4-pyridinyl)-4-fluoropiperidine-4-carboxamide
SMILESNC(=O)C1(F)CCN(c2c(Cl)cncc2Br)CC1
InChIInChI=1S/C11H12BrClFN3O/c12-7-5-16-6-8(13)9(7)17-3-1-11(14,2-4-17)10(15)18/h5-6H,1-4H2,(H2,15,18)
InChIKeyCUVVSWYHSRWGDY-UHFFFAOYSA-N
MW336.59 g/mol
LogP2.29
Rot. Bonds2

About 1-(3-bromo-5-chloro-4-pyridinyl)-4-fluoropiperidine-4-carboxamide

1-(3-bromo-5-chloro-4-pyridinyl)-4-fluoropiperidine-4-carboxamide (PubChem CID 118408029) has the molecular formula C11H12BrClFN3O and a molecular weight of 336.59 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-4-pyridinyl)-4-fluoropiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-4-pyridinyl)-4-fluoropiperidine-4-carboxamide
PubChem CID118408029
Molecular FormulaC11H12BrClFN3O
Molecular Weight336.59 g/mol
Exact Mass334.98
IUPAC Name1-(3-bromo-5-chloro-4-pyridinyl)-4-fluoropiperidine-4-carboxamide
SMILESNC(=O)C1(F)CCN(c2c(Cl)cncc2Br)CC1
InChIInChI=1S/C11H12BrClFN3O/c12-7-5-16-6-8(13)9(7)17-3-1-11(14,2-4-17)10(15)18/h5-6H,1-4H2,(H2,15,18)
InChIKeyCUVVSWYHSRWGDY-UHFFFAOYSA-N
XLogP2.29
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.59
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-Dichloropyridin-4-yl)piperidine-4-carboxamide
CID 2811640
1-(3,5-Dibromopyridin-4-yl)piperidine-4-carboxamide
CID 45275245
1-(3,5-dichloro-4-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 45274904
1-(3,5-dichloropyridin-4-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 45274905
1-(3-Chloropyridin-4-yl)piperidine-4-carboxamide
CID 45275020
8-(3-Bromo-5-chloropyridin-4-yl)-1-(trifluoromethyl)-2,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 118395032
8-(3-Bromo-5-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one
CID 118408019
8-(3-Bromo-5-chloropyridin-4-yl)-3-(trifluoromethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 118408094
(3R)-8-(3-bromo-5-chloropyridin-4-yl)-3-(trifluoromethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 118408101
(3S)-8-(3-bromo-5-chloropyridin-4-yl)-3-(trifluoromethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 129037606
1-(3-Bromo-5-chloro-4-pyridinyl)-4-[3,3-difluoro-2-(methylamino)propyl]piperidine-4-carbaldehyde
CID 137411410
1-(3-bromo-5-chloro-4-pyridinyl)-4-fluoro-N-methylpiperidine-4-carboxamide
CID 137411448

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-4-pyridinyl)-4-fluoropiperidine-4-carboxamide?
The IUPAC name of 1-(3-bromo-5-chloro-4-pyridinyl)-4-fluoropiperidine-4-carboxamide (CID 118408029) is 1-(3-bromo-5-chloro-4-pyridinyl)-4-fluoropiperidine-4-carboxamide.
What is the SMILES notation for 1-(3-bromo-5-chloro-4-pyridinyl)-4-fluoropiperidine-4-carboxamide?
The canonical SMILES for 1-(3-bromo-5-chloro-4-pyridinyl)-4-fluoropiperidine-4-carboxamide is NC(=O)C1(F)CCN(c2c(Cl)cncc2Br)CC1.
What is the InChIKey of 1-(3-bromo-5-chloro-4-pyridinyl)-4-fluoropiperidine-4-carboxamide?
The InChIKey is CUVVSWYHSRWGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClFN3O/c12-7-5-16-6-8(13)9(7)17-3-1-11(14,2-4-17)10(15)18/h5-6H,1-4H2,(H2,15,18).
What are the key properties of 1-(3-bromo-5-chloro-4-pyridinyl)-4-fluoropiperidine-4-carboxamide?
1-(3-bromo-5-chloro-4-pyridinyl)-4-fluoropiperidine-4-carboxamide has a molecular weight of 336.59 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chloro-4-pyridinyl)-4-fluoropiperidine-4-carboxamide is sourced from PubChem (CID 118408029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).