1-methyl-5-(4-phenylbutan-2-ylamino)piperidin-2-one

C16H24N2O — CID 64654292

IUPAC1-methyl-5-(4-phenylbutan-2-ylamino)piperidin-2-one
SMILESCC(CCc1ccccc1)NC1CCC(=O)N(C)C1
InChIInChI=1S/C16H24N2O/c1-13(8-9-14-6-4-3-5-7-14)17-15-10-11-16(19)18(2)12-15/h3-7,13,15,17H,8-12H2,1-2H3
InChIKeyGTVNZUUXERVKRX-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.22
Rot. Bonds5

About 1-methyl-5-(4-phenylbutan-2-ylamino)piperidin-2-one

1-methyl-5-(4-phenylbutan-2-ylamino)piperidin-2-one (PubChem CID 64654292) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-methyl-5-(4-phenylbutan-2-ylamino)piperidin-2-one.

Molecular Properties

Compound Name1-methyl-5-(4-phenylbutan-2-ylamino)piperidin-2-one
PubChem CID64654292
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-methyl-5-(4-phenylbutan-2-ylamino)piperidin-2-one
SMILESCC(CCc1ccccc1)NC1CCC(=O)N(C)C1
InChIInChI=1S/C16H24N2O/c1-13(8-9-14-6-4-3-5-7-14)17-15-10-11-16(19)18(2)12-15/h3-7,13,15,17H,8-12H2,1-2H3
InChIKeyGTVNZUUXERVKRX-UHFFFAOYSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-phenylbutan-2-ylamino)piperidin-2-one?
The IUPAC name of 1-methyl-5-(4-phenylbutan-2-ylamino)piperidin-2-one (CID 64654292) is 1-methyl-5-(4-phenylbutan-2-ylamino)piperidin-2-one.
What is the SMILES notation for 1-methyl-5-(4-phenylbutan-2-ylamino)piperidin-2-one?
The canonical SMILES for 1-methyl-5-(4-phenylbutan-2-ylamino)piperidin-2-one is CC(CCc1ccccc1)NC1CCC(=O)N(C)C1.
What is the InChIKey of 1-methyl-5-(4-phenylbutan-2-ylamino)piperidin-2-one?
The InChIKey is GTVNZUUXERVKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13(8-9-14-6-4-3-5-7-14)17-15-10-11-16(19)18(2)12-15/h3-7,13,15,17H,8-12H2,1-2H3.
What are the key properties of 1-methyl-5-(4-phenylbutan-2-ylamino)piperidin-2-one?
1-methyl-5-(4-phenylbutan-2-ylamino)piperidin-2-one has a molecular weight of 260.38 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-phenylbutan-2-ylamino)piperidin-2-one is sourced from PubChem (CID 64654292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).