3-[4-[(4-bromophenyl)methyl]piperidin-1-yl]-N-(6-oxo-1H-pyridin-3-yl)propanamide

C20H24BrN3O2 — CID 15985649

IUPAC3-[4-[(4-bromophenyl)methyl]piperidin-1-yl]-N-(6-oxo-1H-pyridin-3-yl)propanamide
SMILESO=C(CCN1CCC(Cc2ccc(Br)cc2)CC1)Nc1ccc(=O)[nH]c1
InChIInChI=1S/C20H24BrN3O2/c21-17-3-1-15(2-4-17)13-16-7-10-24(11-8-16)12-9-20(26)23-18-5-6-19(25)22-14-18/h1-6,14,16H,7-13H2,(H,22,25)(H,23,26)
InChIKeyVAEHOGIQBPBGTB-UHFFFAOYSA-N
MW418.34 g/mol
LogP3.42
Rot. Bonds6

About 3-[4-[(4-bromophenyl)methyl]piperidin-1-yl]-N-(6-oxo-1H-pyridin-3-yl)propanamide

3-[4-[(4-bromophenyl)methyl]piperidin-1-yl]-N-(6-oxo-1H-pyridin-3-yl)propanamide (PubChem CID 15985649) has the molecular formula C20H24BrN3O2 and a molecular weight of 418.34 g/mol. Its IUPAC name is 3-[4-[(4-bromophenyl)methyl]piperidin-1-yl]-N-(6-oxo-1H-pyridin-3-yl)propanamide.

Molecular Properties

Compound Name3-[4-[(4-bromophenyl)methyl]piperidin-1-yl]-N-(6-oxo-1H-pyridin-3-yl)propanamide
PubChem CID15985649
Molecular FormulaC20H24BrN3O2
Molecular Weight418.34 g/mol
Exact Mass417.11
IUPAC Name3-[4-[(4-bromophenyl)methyl]piperidin-1-yl]-N-(6-oxo-1H-pyridin-3-yl)propanamide
SMILESO=C(CCN1CCC(Cc2ccc(Br)cc2)CC1)Nc1ccc(=O)[nH]c1
InChIInChI=1S/C20H24BrN3O2/c21-17-3-1-15(2-4-17)13-16-7-10-24(11-8-16)12-9-20(26)23-18-5-6-19(25)22-14-18/h1-6,14,16H,7-13H2,(H,22,25)(H,23,26)
InChIKeyVAEHOGIQBPBGTB-UHFFFAOYSA-N
XLogP3.42
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.34
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-bromophenyl)methyl]piperidin-1-yl]-N-(6-oxo-1H-pyridin-3-yl)propanamide?
The IUPAC name of 3-[4-[(4-bromophenyl)methyl]piperidin-1-yl]-N-(6-oxo-1H-pyridin-3-yl)propanamide (CID 15985649) is 3-[4-[(4-bromophenyl)methyl]piperidin-1-yl]-N-(6-oxo-1H-pyridin-3-yl)propanamide.
What is the SMILES notation for 3-[4-[(4-bromophenyl)methyl]piperidin-1-yl]-N-(6-oxo-1H-pyridin-3-yl)propanamide?
The canonical SMILES for 3-[4-[(4-bromophenyl)methyl]piperidin-1-yl]-N-(6-oxo-1H-pyridin-3-yl)propanamide is O=C(CCN1CCC(Cc2ccc(Br)cc2)CC1)Nc1ccc(=O)[nH]c1.
What is the InChIKey of 3-[4-[(4-bromophenyl)methyl]piperidin-1-yl]-N-(6-oxo-1H-pyridin-3-yl)propanamide?
The InChIKey is VAEHOGIQBPBGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O2/c21-17-3-1-15(2-4-17)13-16-7-10-24(11-8-16)12-9-20(26)23-18-5-6-19(25)22-14-18/h1-6,14,16H,7-13H2,(H,22,25)(H,23,26).
What are the key properties of 3-[4-[(4-bromophenyl)methyl]piperidin-1-yl]-N-(6-oxo-1H-pyridin-3-yl)propanamide?
3-[4-[(4-bromophenyl)methyl]piperidin-1-yl]-N-(6-oxo-1H-pyridin-3-yl)propanamide has a molecular weight of 418.34 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-bromophenyl)methyl]piperidin-1-yl]-N-(6-oxo-1H-pyridin-3-yl)propanamide is sourced from PubChem (CID 15985649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).