N-(2,6-dimethylphenyl)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide

C19H29N3O2 — CID 71840427

IUPACN-(2,6-dimethylphenyl)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide
SMILESCc1cccc(C)c1NC(=O)N1CCCC(CNC(=O)C(C)C)C1
InChIInChI=1S/C19H29N3O2/c1-13(2)18(23)20-11-16-9-6-10-22(12-16)19(24)21-17-14(3)7-5-8-15(17)4/h5,7-8,13,16H,6,9-12H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyOYJNKXJMVZLBAN-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.32
Rot. Bonds4

About N-(2,6-dimethylphenyl)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide

N-(2,6-dimethylphenyl)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide (PubChem CID 71840427) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide
PubChem CID71840427
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-(2,6-dimethylphenyl)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide
SMILESCc1cccc(C)c1NC(=O)N1CCCC(CNC(=O)C(C)C)C1
InChIInChI=1S/C19H29N3O2/c1-13(2)18(23)20-11-16-9-6-10-22(12-16)19(24)21-17-14(3)7-5-8-15(17)4/h5,7-8,13,16H,6,9-12H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyOYJNKXJMVZLBAN-UHFFFAOYSA-N
XLogP3.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide (CID 71840427) is N-(2,6-dimethylphenyl)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide is Cc1cccc(C)c1NC(=O)N1CCCC(CNC(=O)C(C)C)C1.
What is the InChIKey of N-(2,6-dimethylphenyl)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide?
The InChIKey is OYJNKXJMVZLBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-13(2)18(23)20-11-16-9-6-10-22(12-16)19(24)21-17-14(3)7-5-8-15(17)4/h5,7-8,13,16H,6,9-12H2,1-4H3,(H,20,23)(H,21,24).
What are the key properties of N-(2,6-dimethylphenyl)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide?
N-(2,6-dimethylphenyl)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 71840427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).