1-(5-bromo-2-cyanophenyl)-N-methylpiperidine-4-carboxamide

C14H16BrN3O — CID 114901547

IUPAC1-(5-bromo-2-cyanophenyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2cc(Br)ccc2C#N)CC1
InChIInChI=1S/C14H16BrN3O/c1-17-14(19)10-4-6-18(7-5-10)13-8-12(15)3-2-11(13)9-16/h2-3,8,10H,4-7H2,1H3,(H,17,19)
InChIKeyCHBSKACELOGWAO-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.28
Rot. Bonds2

About 1-(5-bromo-2-cyanophenyl)-N-methylpiperidine-4-carboxamide

1-(5-bromo-2-cyanophenyl)-N-methylpiperidine-4-carboxamide (PubChem CID 114901547) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 1-(5-bromo-2-cyanophenyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-2-cyanophenyl)-N-methylpiperidine-4-carboxamide
PubChem CID114901547
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name1-(5-bromo-2-cyanophenyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2cc(Br)ccc2C#N)CC1
InChIInChI=1S/C14H16BrN3O/c1-17-14(19)10-4-6-18(7-5-10)13-8-12(15)3-2-11(13)9-16/h2-3,8,10H,4-7H2,1H3,(H,17,19)
InChIKeyCHBSKACELOGWAO-UHFFFAOYSA-N
XLogP2.28
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-cyanophenyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-bromo-2-cyanophenyl)-N-methylpiperidine-4-carboxamide (CID 114901547) is 1-(5-bromo-2-cyanophenyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-bromo-2-cyanophenyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-bromo-2-cyanophenyl)-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(c2cc(Br)ccc2C#N)CC1.
What is the InChIKey of 1-(5-bromo-2-cyanophenyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is CHBSKACELOGWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-17-14(19)10-4-6-18(7-5-10)13-8-12(15)3-2-11(13)9-16/h2-3,8,10H,4-7H2,1H3,(H,17,19).
What are the key properties of 1-(5-bromo-2-cyanophenyl)-N-methylpiperidine-4-carboxamide?
1-(5-bromo-2-cyanophenyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 322.21 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-cyanophenyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 114901547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).