1-(5-bromopyridine-2-carbonyl)-4-propylpiperidine-4-carboxylic acid

C15H19BrN2O3 — CID 63125731

IUPAC1-(5-bromopyridine-2-carbonyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)c2ccc(Br)cn2)CC1
InChIInChI=1S/C15H19BrN2O3/c1-2-5-15(14(20)21)6-8-18(9-7-15)13(19)12-4-3-11(16)10-17-12/h3-4,10H,2,5-9H2,1H3,(H,20,21)
InChIKeyNVGXUFCOLXESBK-UHFFFAOYSA-N
MW355.23 g/mol
LogP2.95
Rot. Bonds4

About 1-(5-bromopyridine-2-carbonyl)-4-propylpiperidine-4-carboxylic acid

1-(5-bromopyridine-2-carbonyl)-4-propylpiperidine-4-carboxylic acid (PubChem CID 63125731) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 1-(5-bromopyridine-2-carbonyl)-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-bromopyridine-2-carbonyl)-4-propylpiperidine-4-carboxylic acid
PubChem CID63125731
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name1-(5-bromopyridine-2-carbonyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)c2ccc(Br)cn2)CC1
InChIInChI=1S/C15H19BrN2O3/c1-2-5-15(14(20)21)6-8-18(9-7-15)13(19)12-4-3-11(16)10-17-12/h3-4,10H,2,5-9H2,1H3,(H,20,21)
InChIKeyNVGXUFCOLXESBK-UHFFFAOYSA-N
XLogP2.95
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-azaspiro[4.5]decan-8-yl-(5-bromo-2-pyridinyl)methanone
CID 63161313
(5-bromo-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103727006
1-(5-bromofuran-2-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63125093
1-(4-hydroxybenzoyl)-4-propylpiperidine-4-carboxylic acid
CID 63125102
(5-bromo-2-pyridinyl)-(4-ethoxypiperidin-1-yl)methanone
CID 62954265
1-(2-methylpyrazole-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63125678
1-(5-bromo-2-chlorobenzoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145819
(5-bromo-2-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62953905
(5-bromo-2-pyridinyl)-(1,1-dihydroxy-1,4-thiazinan-4-yl)methanone
CID 68626889
1-(4-bromo-2-hydroxybenzoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63146051
1-acetyl-4-propylpiperidine-4-carboxylic acid
CID 63125183
4-propylpiperidine-1,4-dicarboxylic acid
CID 91190681

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyridine-2-carbonyl)-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(5-bromopyridine-2-carbonyl)-4-propylpiperidine-4-carboxylic acid (CID 63125731) is 1-(5-bromopyridine-2-carbonyl)-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-bromopyridine-2-carbonyl)-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-bromopyridine-2-carbonyl)-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)c2ccc(Br)cn2)CC1.
What is the InChIKey of 1-(5-bromopyridine-2-carbonyl)-4-propylpiperidine-4-carboxylic acid?
The InChIKey is NVGXUFCOLXESBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-2-5-15(14(20)21)6-8-18(9-7-15)13(19)12-4-3-11(16)10-17-12/h3-4,10H,2,5-9H2,1H3,(H,20,21).
What are the key properties of 1-(5-bromopyridine-2-carbonyl)-4-propylpiperidine-4-carboxylic acid?
1-(5-bromopyridine-2-carbonyl)-4-propylpiperidine-4-carboxylic acid has a molecular weight of 355.23 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopyridine-2-carbonyl)-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63125731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).