1-[(3R,4R)-3-methyl-4-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]propan-1-one

C18H26N4O — CID 96513472

IUPAC1-[(3R,4R)-3-methyl-4-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CC[C@@H](NCc2cnc3cc(C)ccn23)[C@H](C)C1
InChIInChI=1S/C18H26N4O/c1-4-18(23)21-7-6-16(14(3)12-21)19-10-15-11-20-17-9-13(2)5-8-22(15)17/h5,8-9,11,14,16,19H,4,6-7,10,12H2,1-3H3/t14-,16-/m1/s1
InChIKeyUZCZOMGKMSSBOO-GDBMZVCRSA-N
MW314.43 g/mol
LogP2.38
Rot. Bonds4

About 1-[(3R,4R)-3-methyl-4-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]propan-1-one

1-[(3R,4R)-3-methyl-4-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]propan-1-one (PubChem CID 96513472) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[(3R,4R)-3-methyl-4-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(3R,4R)-3-methyl-4-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]propan-1-one
PubChem CID96513472
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name1-[(3R,4R)-3-methyl-4-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CC[C@@H](NCc2cnc3cc(C)ccn23)[C@H](C)C1
InChIInChI=1S/C18H26N4O/c1-4-18(23)21-7-6-16(14(3)12-21)19-10-15-11-20-17-9-13(2)5-8-22(15)17/h5,8-9,11,14,16,19H,4,6-7,10,12H2,1-3H3/t14-,16-/m1/s1
InChIKeyUZCZOMGKMSSBOO-GDBMZVCRSA-N
XLogP2.38
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-3-methyl-4-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[(3R,4R)-3-methyl-4-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]propan-1-one (CID 96513472) is 1-[(3R,4R)-3-methyl-4-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(3R,4R)-3-methyl-4-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(3R,4R)-3-methyl-4-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]propan-1-one is CCC(=O)N1CC[C@@H](NCc2cnc3cc(C)ccn23)[C@H](C)C1.
What is the InChIKey of 1-[(3R,4R)-3-methyl-4-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]propan-1-one?
The InChIKey is UZCZOMGKMSSBOO-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H26N4O/c1-4-18(23)21-7-6-16(14(3)12-21)19-10-15-11-20-17-9-13(2)5-8-22(15)17/h5,8-9,11,14,16,19H,4,6-7,10,12H2,1-3H3/t14-,16-/m1/s1.
What are the key properties of 1-[(3R,4R)-3-methyl-4-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]propan-1-one?
1-[(3R,4R)-3-methyl-4-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]propan-1-one has a molecular weight of 314.43 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-3-methyl-4-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 96513472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).