N-butyl-1-(4-fluoro-3-methylbenzoyl)-2-methylpiperidine-2-carboxamide

C19H27FN2O2 — CID 46943914

IUPACN-butyl-1-(4-fluoro-3-methylbenzoyl)-2-methylpiperidine-2-carboxamide
SMILESCCCCNC(=O)C1(C)CCCCN1C(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C19H27FN2O2/c1-4-5-11-21-18(24)19(3)10-6-7-12-22(19)17(23)15-8-9-16(20)14(2)13-15/h8-9,13H,4-7,10-12H2,1-3H3,(H,21,24)
InChIKeyZMBFGWJBJNWLGG-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.44
Rot. Bonds5

About N-butyl-1-(4-fluoro-3-methylbenzoyl)-2-methylpiperidine-2-carboxamide

N-butyl-1-(4-fluoro-3-methylbenzoyl)-2-methylpiperidine-2-carboxamide (PubChem CID 46943914) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is N-butyl-1-(4-fluoro-3-methylbenzoyl)-2-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(4-fluoro-3-methylbenzoyl)-2-methylpiperidine-2-carboxamide
PubChem CID46943914
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC NameN-butyl-1-(4-fluoro-3-methylbenzoyl)-2-methylpiperidine-2-carboxamide
SMILESCCCCNC(=O)C1(C)CCCCN1C(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C19H27FN2O2/c1-4-5-11-21-18(24)19(3)10-6-7-12-22(19)17(23)15-8-9-16(20)14(2)13-15/h8-9,13H,4-7,10-12H2,1-3H3,(H,21,24)
InChIKeyZMBFGWJBJNWLGG-UHFFFAOYSA-N
XLogP3.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(4-fluoro-3-methylbenzoyl)-2-methylpiperidine-2-carboxamide?
The IUPAC name of N-butyl-1-(4-fluoro-3-methylbenzoyl)-2-methylpiperidine-2-carboxamide (CID 46943914) is N-butyl-1-(4-fluoro-3-methylbenzoyl)-2-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-butyl-1-(4-fluoro-3-methylbenzoyl)-2-methylpiperidine-2-carboxamide?
The canonical SMILES for N-butyl-1-(4-fluoro-3-methylbenzoyl)-2-methylpiperidine-2-carboxamide is CCCCNC(=O)C1(C)CCCCN1C(=O)c1ccc(F)c(C)c1.
What is the InChIKey of N-butyl-1-(4-fluoro-3-methylbenzoyl)-2-methylpiperidine-2-carboxamide?
The InChIKey is ZMBFGWJBJNWLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-4-5-11-21-18(24)19(3)10-6-7-12-22(19)17(23)15-8-9-16(20)14(2)13-15/h8-9,13H,4-7,10-12H2,1-3H3,(H,21,24).
What are the key properties of N-butyl-1-(4-fluoro-3-methylbenzoyl)-2-methylpiperidine-2-carboxamide?
N-butyl-1-(4-fluoro-3-methylbenzoyl)-2-methylpiperidine-2-carboxamide has a molecular weight of 334.44 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(4-fluoro-3-methylbenzoyl)-2-methylpiperidine-2-carboxamide is sourced from PubChem (CID 46943914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).