(2S)-2-amino-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one

C16H32N4O — CID 69329775

IUPAC(2S)-2-amino-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one
SMILESCN1CCC(C2CCN(C(=O)[C@@](C)(N)N(C)C)CC2)CC1
InChIInChI=1S/C16H32N4O/c1-16(17,18(2)3)15(21)20-11-7-14(8-12-20)13-5-9-19(4)10-6-13/h13-14H,5-12,17H2,1-4H3/t16-/m0/s1
InChIKeyGUMUQYDMDRSTDX-INIZCTEOSA-N
MW296.46 g/mol
LogP0.80
Rot. Bonds3

About (2S)-2-amino-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one

(2S)-2-amino-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one (PubChem CID 69329775) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is (2S)-2-amino-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one
PubChem CID69329775
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name(2S)-2-amino-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one
SMILESCN1CCC(C2CCN(C(=O)[C@@](C)(N)N(C)C)CC2)CC1
InChIInChI=1S/C16H32N4O/c1-16(17,18(2)3)15(21)20-11-7-14(8-12-20)13-5-9-19(4)10-6-13/h13-14H,5-12,17H2,1-4H3/t16-/m0/s1
InChIKeyGUMUQYDMDRSTDX-INIZCTEOSA-N
XLogP0.80
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-amino-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one (CID 69329775) is (2S)-2-amino-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-amino-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-amino-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one is CN1CCC(C2CCN(C(=O)[C@@](C)(N)N(C)C)CC2)CC1.
What is the InChIKey of (2S)-2-amino-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one?
The InChIKey is GUMUQYDMDRSTDX-INIZCTEOSA-N. The full InChI is InChI=1S/C16H32N4O/c1-16(17,18(2)3)15(21)20-11-7-14(8-12-20)13-5-9-19(4)10-6-13/h13-14H,5-12,17H2,1-4H3/t16-/m0/s1.
What are the key properties of (2S)-2-amino-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one?
(2S)-2-amino-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one has a molecular weight of 296.46 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 69329775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).