1-[3-bromo-5-(4-methylphenyl)-4-pyridinyl]piperidine-4-carboxamide

C18H20BrN3O — CID 67218652

IUPAC1-[3-bromo-5-(4-methylphenyl)-4-pyridinyl]piperidine-4-carboxamide
SMILESCc1ccc(-c2cncc(Br)c2N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C18H20BrN3O/c1-12-2-4-13(5-3-12)15-10-21-11-16(19)17(15)22-8-6-14(7-9-22)18(20)23/h2-5,10-11,14H,6-9H2,1H3,(H2,20,23)
InChIKeyGZZXWDNWCLTBIS-UHFFFAOYSA-N
MW374.28 g/mol
LogP3.52
Rot. Bonds3

About 1-[3-bromo-5-(4-methylphenyl)-4-pyridinyl]piperidine-4-carboxamide

1-[3-bromo-5-(4-methylphenyl)-4-pyridinyl]piperidine-4-carboxamide (PubChem CID 67218652) has the molecular formula C18H20BrN3O and a molecular weight of 374.28 g/mol. Its IUPAC name is 1-[3-bromo-5-(4-methylphenyl)-4-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-bromo-5-(4-methylphenyl)-4-pyridinyl]piperidine-4-carboxamide
PubChem CID67218652
Molecular FormulaC18H20BrN3O
Molecular Weight374.28 g/mol
Exact Mass373.08
IUPAC Name1-[3-bromo-5-(4-methylphenyl)-4-pyridinyl]piperidine-4-carboxamide
SMILESCc1ccc(-c2cncc(Br)c2N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C18H20BrN3O/c1-12-2-4-13(5-3-12)15-10-21-11-16(19)17(15)22-8-6-14(7-9-22)18(20)23/h2-5,10-11,14H,6-9H2,1H3,(H2,20,23)
InChIKeyGZZXWDNWCLTBIS-UHFFFAOYSA-N
XLogP3.52
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-5-(4-methylphenyl)-4-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-bromo-5-(4-methylphenyl)-4-pyridinyl]piperidine-4-carboxamide (CID 67218652) is 1-[3-bromo-5-(4-methylphenyl)-4-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-bromo-5-(4-methylphenyl)-4-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-bromo-5-(4-methylphenyl)-4-pyridinyl]piperidine-4-carboxamide is Cc1ccc(-c2cncc(Br)c2N2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-[3-bromo-5-(4-methylphenyl)-4-pyridinyl]piperidine-4-carboxamide?
The InChIKey is GZZXWDNWCLTBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O/c1-12-2-4-13(5-3-12)15-10-21-11-16(19)17(15)22-8-6-14(7-9-22)18(20)23/h2-5,10-11,14H,6-9H2,1H3,(H2,20,23).
What are the key properties of 1-[3-bromo-5-(4-methylphenyl)-4-pyridinyl]piperidine-4-carboxamide?
1-[3-bromo-5-(4-methylphenyl)-4-pyridinyl]piperidine-4-carboxamide has a molecular weight of 374.28 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-5-(4-methylphenyl)-4-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 67218652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).