(3R)-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide

C17H33N3O2 — CID 94093245

IUPAC(3R)-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
SMILESCC(C)C(=O)N1CCC[C@@H](C(=O)NC[C@H](C(C)C)N(C)C)C1
InChIInChI=1S/C17H33N3O2/c1-12(2)15(19(5)6)10-18-16(21)14-8-7-9-20(11-14)17(22)13(3)4/h12-15H,7-11H2,1-6H3,(H,18,21)/t14-,15-/m1/s1
InChIKeyUNOJEIJJWGAPDC-HUUCEWRRSA-N
MW311.47 g/mol
LogP1.58
Rot. Bonds6

About (3R)-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide

(3R)-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide (PubChem CID 94093245) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is (3R)-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
PubChem CID94093245
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name(3R)-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
SMILESCC(C)C(=O)N1CCC[C@@H](C(=O)NC[C@H](C(C)C)N(C)C)C1
InChIInChI=1S/C17H33N3O2/c1-12(2)15(19(5)6)10-18-16(21)14-8-7-9-20(11-14)17(22)13(3)4/h12-15H,7-11H2,1-6H3,(H,18,21)/t14-,15-/m1/s1
InChIKeyUNOJEIJJWGAPDC-HUUCEWRRSA-N
XLogP1.58
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 60753425
N-(2-hydroxy-4-methylpentyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 103771492
methyl 2-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]acetate
CID 43431630
(3R)-N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 94090965
5-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 62033036
3-N-[(2S)-2-hydroxypropyl]piperidine-1,3-dicarboxamide
CID 83059648
(3R)-1-(2-methylpropanoyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 51937811
(3R)-N-ethyl-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxamide
CID 95318260
N-(2-hydroxypropyl)-N-methyl-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 62334774
N-(2-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 43418235
N-(1-hydroxybutan-2-yl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 43427722
3-N-(2-ethylbutyl)piperidine-1,3-dicarboxamide
CID 115612806

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide (CID 94093245) is (3R)-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide is CC(C)C(=O)N1CCC[C@@H](C(=O)NC[C@H](C(C)C)N(C)C)C1.
What is the InChIKey of (3R)-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide?
The InChIKey is UNOJEIJJWGAPDC-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-12(2)15(19(5)6)10-18-16(21)14-8-7-9-20(11-14)17(22)13(3)4/h12-15H,7-11H2,1-6H3,(H,18,21)/t14-,15-/m1/s1.
What are the key properties of (3R)-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide?
(3R)-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide has a molecular weight of 311.47 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 94093245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).