N-(5-bromo-2-pyridinyl)-1-pentanoylpiperidine-4-carboxamide

C16H22BrN3O2 — CID 55931903

IUPACN-(5-bromo-2-pyridinyl)-1-pentanoylpiperidine-4-carboxamide
SMILESCCCCC(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1
InChIInChI=1S/C16H22BrN3O2/c1-2-3-4-15(21)20-9-7-12(8-10-20)16(22)19-14-6-5-13(17)11-18-14/h5-6,11-12H,2-4,7-10H2,1H3,(H,18,19,22)
InChIKeyKRCWKOOQLGFNNL-UHFFFAOYSA-N
MW368.28 g/mol
LogP3.21
Rot. Bonds5

About N-(5-bromo-2-pyridinyl)-1-pentanoylpiperidine-4-carboxamide

N-(5-bromo-2-pyridinyl)-1-pentanoylpiperidine-4-carboxamide (PubChem CID 55931903) has the molecular formula C16H22BrN3O2 and a molecular weight of 368.28 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-pentanoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-pentanoylpiperidine-4-carboxamide
PubChem CID55931903
Molecular FormulaC16H22BrN3O2
Molecular Weight368.28 g/mol
Exact Mass367.09
IUPAC NameN-(5-bromo-2-pyridinyl)-1-pentanoylpiperidine-4-carboxamide
SMILESCCCCC(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1
InChIInChI=1S/C16H22BrN3O2/c1-2-3-4-15(21)20-9-7-12(8-10-20)16(22)19-14-6-5-13(17)11-18-14/h5-6,11-12H,2-4,7-10H2,1H3,(H,18,19,22)
InChIKeyKRCWKOOQLGFNNL-UHFFFAOYSA-N
XLogP3.21
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-pyridinyl)-1-(2-butoxypropanoyl)piperidine-4-carboxamide
CID 48678587
1-pentanoyl-N-phenylpiperidine-4-carboxamide
CID 17491790
1-(1-aminocyclopentanecarbonyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119856436
N-(5-bromo-2-pyridinyl)-1-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxamide
CID 55932037
N-(5-bromo-2-pyridinyl)-1-[4-(2,2-dimethylpropanoylamino)butanoyl]piperidine-3-carboxamide
CID 55993827
N-(4-chlorophenyl)-1-pentanoylpiperidine-4-carboxamide
CID 113007176
1-(2-amino-2-methylpropyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide
CID 120847825
N-(5-bromo-2-pyridinyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 55815564
N-(5-bromo-2-pyridinyl)-1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxamide
CID 55922690
(3S)-N-(5-bromo-2-pyridinyl)-1-(3-cyclopentylpropanoyl)piperidine-3-carboxamide
CID 94134844
N-(5-bromo-2-pyridinyl)-1-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 55932291
N-(5-bromo-2-pyridinyl)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-4-carboxamide
CID 55818550

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-pentanoylpiperidine-4-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-pentanoylpiperidine-4-carboxamide (CID 55931903) is N-(5-bromo-2-pyridinyl)-1-pentanoylpiperidine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-pentanoylpiperidine-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-pentanoylpiperidine-4-carboxamide is CCCCC(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-pentanoylpiperidine-4-carboxamide?
The InChIKey is KRCWKOOQLGFNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O2/c1-2-3-4-15(21)20-9-7-12(8-10-20)16(22)19-14-6-5-13(17)11-18-14/h5-6,11-12H,2-4,7-10H2,1H3,(H,18,19,22).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-pentanoylpiperidine-4-carboxamide?
N-(5-bromo-2-pyridinyl)-1-pentanoylpiperidine-4-carboxamide has a molecular weight of 368.28 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-pentanoylpiperidine-4-carboxamide is sourced from PubChem (CID 55931903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).