(2S,3R)-5-methyl-3-(3-methylpiperidine-1-carbonyl)-2-propylhexanamide

C17H32N2O2 — CID 10286267

IUPAC(2S,3R)-5-methyl-3-(3-methylpiperidine-1-carbonyl)-2-propylhexanamide
SMILESCCC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)N1CCCC(C)C1
InChIInChI=1S/C17H32N2O2/c1-5-7-14(16(18)20)15(10-12(2)3)17(21)19-9-6-8-13(4)11-19/h12-15H,5-11H2,1-4H3,(H2,18,20)/t13?,14-,15+/m0/s1
InChIKeyTXGXEZNGNBDAED-NOYMGPGASA-N
MW296.45 g/mol
LogP2.81
Rot. Bonds7

About (2S,3R)-5-methyl-3-(3-methylpiperidine-1-carbonyl)-2-propylhexanamide

(2S,3R)-5-methyl-3-(3-methylpiperidine-1-carbonyl)-2-propylhexanamide (PubChem CID 10286267) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is (2S,3R)-5-methyl-3-(3-methylpiperidine-1-carbonyl)-2-propylhexanamide.

Molecular Properties

Compound Name(2S,3R)-5-methyl-3-(3-methylpiperidine-1-carbonyl)-2-propylhexanamide
PubChem CID10286267
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name(2S,3R)-5-methyl-3-(3-methylpiperidine-1-carbonyl)-2-propylhexanamide
SMILESCCC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)N1CCCC(C)C1
InChIInChI=1S/C17H32N2O2/c1-5-7-14(16(18)20)15(10-12(2)3)17(21)19-9-6-8-13(4)11-19/h12-15H,5-11H2,1-4H3,(H2,18,20)/t13?,14-,15+/m0/s1
InChIKeyTXGXEZNGNBDAED-NOYMGPGASA-N
XLogP2.81
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-5-methyl-3-(3-methylpiperidine-1-carbonyl)-2-propylhexanamide?
The IUPAC name of (2S,3R)-5-methyl-3-(3-methylpiperidine-1-carbonyl)-2-propylhexanamide (CID 10286267) is (2S,3R)-5-methyl-3-(3-methylpiperidine-1-carbonyl)-2-propylhexanamide.
What is the SMILES notation for (2S,3R)-5-methyl-3-(3-methylpiperidine-1-carbonyl)-2-propylhexanamide?
The canonical SMILES for (2S,3R)-5-methyl-3-(3-methylpiperidine-1-carbonyl)-2-propylhexanamide is CCC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)N1CCCC(C)C1.
What is the InChIKey of (2S,3R)-5-methyl-3-(3-methylpiperidine-1-carbonyl)-2-propylhexanamide?
The InChIKey is TXGXEZNGNBDAED-NOYMGPGASA-N. The full InChI is InChI=1S/C17H32N2O2/c1-5-7-14(16(18)20)15(10-12(2)3)17(21)19-9-6-8-13(4)11-19/h12-15H,5-11H2,1-4H3,(H2,18,20)/t13?,14-,15+/m0/s1.
What are the key properties of (2S,3R)-5-methyl-3-(3-methylpiperidine-1-carbonyl)-2-propylhexanamide?
(2S,3R)-5-methyl-3-(3-methylpiperidine-1-carbonyl)-2-propylhexanamide has a molecular weight of 296.45 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-5-methyl-3-(3-methylpiperidine-1-carbonyl)-2-propylhexanamide is sourced from PubChem (CID 10286267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).