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

C17H33N3O — CID 69141458

IUPAC(2R)-2-amino-4-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]pentan-1-one
SMILESCC(C)C[C@@H](N)C(=O)N1CCC(C2CCN(C)CC2)CC1
InChIInChI=1S/C17H33N3O/c1-13(2)12-16(18)17(21)20-10-6-15(7-11-20)14-4-8-19(3)9-5-14/h13-16H,4-12,18H2,1-3H3/t16-/m1/s1
InChIKeyCKWKATMRQBYSKZ-MRXNPFEDSA-N
MW295.47 g/mol
LogP1.94
Rot. Bonds4

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

(2R)-2-amino-4-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]pentan-1-one (PubChem CID 69141458) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is (2R)-2-amino-4-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-4-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]pentan-1-one
PubChem CID69141458
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name(2R)-2-amino-4-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]pentan-1-one
SMILESCC(C)C[C@@H](N)C(=O)N1CCC(C2CCN(C)CC2)CC1
InChIInChI=1S/C17H33N3O/c1-13(2)12-16(18)17(21)20-10-6-15(7-11-20)14-4-8-19(3)9-5-14/h13-16H,4-12,18H2,1-3H3/t16-/m1/s1
InChIKeyCKWKATMRQBYSKZ-MRXNPFEDSA-N
XLogP1.94
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]pentan-1-one?
The IUPAC name of (2R)-2-amino-4-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]pentan-1-one (CID 69141458) is (2R)-2-amino-4-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]pentan-1-one.
What is the SMILES notation for (2R)-2-amino-4-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]pentan-1-one?
The canonical SMILES for (2R)-2-amino-4-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]pentan-1-one is CC(C)C[C@@H](N)C(=O)N1CCC(C2CCN(C)CC2)CC1.
What is the InChIKey of (2R)-2-amino-4-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]pentan-1-one?
The InChIKey is CKWKATMRQBYSKZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H33N3O/c1-13(2)12-16(18)17(21)20-10-6-15(7-11-20)14-4-8-19(3)9-5-14/h13-16H,4-12,18H2,1-3H3/t16-/m1/s1.
What are the key properties of (2R)-2-amino-4-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]pentan-1-one?
(2R)-2-amino-4-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]pentan-1-one has a molecular weight of 295.47 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 69141458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).