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

C17H32N2O2 — CID 10193074

IUPAC(2S,3R)-5-methyl-3-(2-methylpiperidine-1-carbonyl)-2-propylhexanamide
SMILESCCC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)N1CCCCC1C
InChIInChI=1S/C17H32N2O2/c1-5-8-14(16(18)20)15(11-12(2)3)17(21)19-10-7-6-9-13(19)4/h12-15H,5-11H2,1-4H3,(H2,18,20)/t13?,14-,15+/m0/s1
InChIKeyPNKGWFXAGYFRJQ-NOYMGPGASA-N
MW296.45 g/mol
LogP2.95
Rot. Bonds7

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

(2S,3R)-5-methyl-3-(2-methylpiperidine-1-carbonyl)-2-propylhexanamide (PubChem CID 10193074) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is (2S,3R)-5-methyl-3-(2-methylpiperidine-1-carbonyl)-2-propylhexanamide.

Molecular Properties

Compound Name(2S,3R)-5-methyl-3-(2-methylpiperidine-1-carbonyl)-2-propylhexanamide
PubChem CID10193074
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name(2S,3R)-5-methyl-3-(2-methylpiperidine-1-carbonyl)-2-propylhexanamide
SMILESCCC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)N1CCCCC1C
InChIInChI=1S/C17H32N2O2/c1-5-8-14(16(18)20)15(11-12(2)3)17(21)19-10-7-6-9-13(19)4/h12-15H,5-11H2,1-4H3,(H2,18,20)/t13?,14-,15+/m0/s1
InChIKeyPNKGWFXAGYFRJQ-NOYMGPGASA-N
XLogP2.95
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 ≤ 52.95
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-(2-methylpiperidine-1-carbonyl)-2-propylhexanamide?
The IUPAC name of (2S,3R)-5-methyl-3-(2-methylpiperidine-1-carbonyl)-2-propylhexanamide (CID 10193074) is (2S,3R)-5-methyl-3-(2-methylpiperidine-1-carbonyl)-2-propylhexanamide.
What is the SMILES notation for (2S,3R)-5-methyl-3-(2-methylpiperidine-1-carbonyl)-2-propylhexanamide?
The canonical SMILES for (2S,3R)-5-methyl-3-(2-methylpiperidine-1-carbonyl)-2-propylhexanamide is CCC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)N1CCCCC1C.
What is the InChIKey of (2S,3R)-5-methyl-3-(2-methylpiperidine-1-carbonyl)-2-propylhexanamide?
The InChIKey is PNKGWFXAGYFRJQ-NOYMGPGASA-N. The full InChI is InChI=1S/C17H32N2O2/c1-5-8-14(16(18)20)15(11-12(2)3)17(21)19-10-7-6-9-13(19)4/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-(2-methylpiperidine-1-carbonyl)-2-propylhexanamide?
(2S,3R)-5-methyl-3-(2-methylpiperidine-1-carbonyl)-2-propylhexanamide has a molecular weight of 296.45 g/mol, XLogP of 2.95, 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-(2-methylpiperidine-1-carbonyl)-2-propylhexanamide is sourced from PubChem (CID 10193074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).