(2S)-2-(dimethylamino)-3-methyl-N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]butanamide

C17H35N3O — CID 96539152

IUPAC(2S)-2-(dimethylamino)-3-methyl-N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]butanamide
SMILESCC(C)[C@@H](C(=O)NCC(C)(C)N1CCC[C@@H](C)C1)N(C)C
InChIInChI=1S/C17H35N3O/c1-13(2)15(19(6)7)16(21)18-12-17(4,5)20-10-8-9-14(3)11-20/h13-15H,8-12H2,1-7H3,(H,18,21)/t14-,15+/m1/s1
InChIKeyMCGXQCOGJLBSMY-CABCVRRESA-N
MW297.49 g/mol
LogP2.20
Rot. Bonds6

About (2S)-2-(dimethylamino)-3-methyl-N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]butanamide

(2S)-2-(dimethylamino)-3-methyl-N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]butanamide (PubChem CID 96539152) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-3-methyl-N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-3-methyl-N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]butanamide
PubChem CID96539152
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name(2S)-2-(dimethylamino)-3-methyl-N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]butanamide
SMILESCC(C)[C@@H](C(=O)NCC(C)(C)N1CCC[C@@H](C)C1)N(C)C
InChIInChI=1S/C17H35N3O/c1-13(2)15(19(6)7)16(21)18-12-17(4,5)20-10-8-9-14(3)11-20/h13-15H,8-12H2,1-7H3,(H,18,21)/t14-,15+/m1/s1
InChIKeyMCGXQCOGJLBSMY-CABCVRRESA-N
XLogP2.20
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(dimethylamino)-3-methyl-N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]butanamide with MolForge

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Related Compounds

3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide
CID 110903346
3-(hydroxymethyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboxamide
CID 111443816
1,2-dimethyl-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 86777122
3-methyl-N-[4-[[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamoylamino]phenyl]butanamide
CID 51124918
3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-phenylbutanamide
CID 110025007
N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60568818
N-(2-amino-2-methylpropyl)-2-(dimethylamino)-3-methylbutanamide;dihydrochloride
CID 119627492
1-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 98756215
N,N-dimethyl-1-[[[N'-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide
CID 111571259
1-(2-methoxy-2-methylpropyl)-2-methyl-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 111607295
ethyl 3-[[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamoyl]piperidine-1-carboxylate
CID 60569016
4-methoxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 119863623

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-3-methyl-N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]butanamide?
The IUPAC name of (2S)-2-(dimethylamino)-3-methyl-N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]butanamide (CID 96539152) is (2S)-2-(dimethylamino)-3-methyl-N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]butanamide.
What is the SMILES notation for (2S)-2-(dimethylamino)-3-methyl-N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]butanamide?
The canonical SMILES for (2S)-2-(dimethylamino)-3-methyl-N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]butanamide is CC(C)[C@@H](C(=O)NCC(C)(C)N1CCC[C@@H](C)C1)N(C)C.
What is the InChIKey of (2S)-2-(dimethylamino)-3-methyl-N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]butanamide?
The InChIKey is MCGXQCOGJLBSMY-CABCVRRESA-N. The full InChI is InChI=1S/C17H35N3O/c1-13(2)15(19(6)7)16(21)18-12-17(4,5)20-10-8-9-14(3)11-20/h13-15H,8-12H2,1-7H3,(H,18,21)/t14-,15+/m1/s1.
What are the key properties of (2S)-2-(dimethylamino)-3-methyl-N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]butanamide?
(2S)-2-(dimethylamino)-3-methyl-N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]butanamide has a molecular weight of 297.49 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-3-methyl-N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]butanamide is sourced from PubChem (CID 96539152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).