(2S)-2-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3,3-dimethylbutanamide;dihydrochloride

C16H35Cl2N3O — CID 119863522

IUPAC(2S)-2-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3,3-dimethylbutanamide;dihydrochloride
SMILESCC1CC(C)CN(CC(C)NC(=O)[C@@H](N)C(C)(C)C)C1.Cl.Cl
InChIInChI=1S/C16H33N3O.2ClH/c1-11-7-12(2)9-19(8-11)10-13(3)18-15(20)14(17)16(4,5)6;;/h11-14H,7-10,17H2,1-6H3,(H,18,20);2*1H/t11?,12?,13?,14-;;/m1../s1
InChIKeyGZUJQFDABKUUKN-VRVPXQRNSA-N
MW356.38 g/mol
LogP2.69
Rot. Bonds4

About (2S)-2-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3,3-dimethylbutanamide;dihydrochloride

(2S)-2-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3,3-dimethylbutanamide;dihydrochloride (PubChem CID 119863522) has the molecular formula C16H35Cl2N3O and a molecular weight of 356.38 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3,3-dimethylbutanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3,3-dimethylbutanamide;dihydrochloride
PubChem CID119863522
Molecular FormulaC16H35Cl2N3O
Molecular Weight356.38 g/mol
Exact Mass355.22
IUPAC Name(2S)-2-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3,3-dimethylbutanamide;dihydrochloride
SMILESCC1CC(C)CN(CC(C)NC(=O)[C@@H](N)C(C)(C)C)C1.Cl.Cl
InChIInChI=1S/C16H33N3O.2ClH/c1-11-7-12(2)9-19(8-11)10-13(3)18-15(20)14(17)16(4,5)6;;/h11-14H,7-10,17H2,1-6H3,(H,18,20);2*1H/t11?,12?,13?,14-;;/m1../s1
InChIKeyGZUJQFDABKUUKN-VRVPXQRNSA-N
XLogP2.69
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3,3-dimethylbutanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3,3-dimethylbutanamide;dihydrochloride (CID 119863522) is (2S)-2-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3,3-dimethylbutanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3,3-dimethylbutanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3,3-dimethylbutanamide;dihydrochloride is CC1CC(C)CN(CC(C)NC(=O)[C@@H](N)C(C)(C)C)C1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3,3-dimethylbutanamide;dihydrochloride?
The InChIKey is GZUJQFDABKUUKN-VRVPXQRNSA-N. The full InChI is InChI=1S/C16H33N3O.2ClH/c1-11-7-12(2)9-19(8-11)10-13(3)18-15(20)14(17)16(4,5)6;;/h11-14H,7-10,17H2,1-6H3,(H,18,20);2*1H/t11?,12?,13?,14-;;/m1../s1.
What are the key properties of (2S)-2-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3,3-dimethylbutanamide;dihydrochloride?
(2S)-2-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3,3-dimethylbutanamide;dihydrochloride has a molecular weight of 356.38 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3,3-dimethylbutanamide;dihydrochloride is sourced from PubChem (CID 119863522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).