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

C14H27N3O — CID 11322755

IUPAC(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one
SMILESC[C@@H](N)C(=O)N1CCC(C2CCN(C)CC2)CC1
InChIInChI=1S/C14H27N3O/c1-11(15)14(18)17-9-5-13(6-10-17)12-3-7-16(2)8-4-12/h11-13H,3-10,15H2,1-2H3/t11-/m1/s1
InChIKeyDXEMXDRMCQDESG-LLVKDONJSA-N
MW253.39 g/mol
LogP0.91
Rot. Bonds2

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

(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one (PubChem CID 11322755) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one
PubChem CID11322755
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one
SMILESC[C@@H](N)C(=O)N1CCC(C2CCN(C)CC2)CC1
InChIInChI=1S/C14H27N3O/c1-11(15)14(18)17-9-5-13(6-10-17)12-3-7-16(2)8-4-12/h11-13H,3-10,15H2,1-2H3/t11-/m1/s1
InChIKeyDXEMXDRMCQDESG-LLVKDONJSA-N
XLogP0.91
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one (CID 11322755) is (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one is C[C@@H](N)C(=O)N1CCC(C2CCN(C)CC2)CC1.
What is the InChIKey of (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one?
The InChIKey is DXEMXDRMCQDESG-LLVKDONJSA-N. The full InChI is InChI=1S/C14H27N3O/c1-11(15)14(18)17-9-5-13(6-10-17)12-3-7-16(2)8-4-12/h11-13H,3-10,15H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one?
(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one has a molecular weight of 253.39 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 11322755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).