3-[methyl(piperidin-4-ylmethyl)amino]-1-phenylpiperidin-2-one

C18H27N3O — CID 119931878

IUPAC3-[methyl(piperidin-4-ylmethyl)amino]-1-phenylpiperidin-2-one
SMILESCN(CC1CCNCC1)C1CCCN(c2ccccc2)C1=O
InChIInChI=1S/C18H27N3O/c1-20(14-15-9-11-19-12-10-15)17-8-5-13-21(18(17)22)16-6-3-2-4-7-16/h2-4,6-7,15,17,19H,5,8-14H2,1H3
InChIKeyFEJQHVFQACVQQJ-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.11
Rot. Bonds4

About 3-[methyl(piperidin-4-ylmethyl)amino]-1-phenylpiperidin-2-one

3-[methyl(piperidin-4-ylmethyl)amino]-1-phenylpiperidin-2-one (PubChem CID 119931878) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 3-[methyl(piperidin-4-ylmethyl)amino]-1-phenylpiperidin-2-one.

Molecular Properties

Compound Name3-[methyl(piperidin-4-ylmethyl)amino]-1-phenylpiperidin-2-one
PubChem CID119931878
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name3-[methyl(piperidin-4-ylmethyl)amino]-1-phenylpiperidin-2-one
SMILESCN(CC1CCNCC1)C1CCCN(c2ccccc2)C1=O
InChIInChI=1S/C18H27N3O/c1-20(14-15-9-11-19-12-10-15)17-8-5-13-21(18(17)22)16-6-3-2-4-7-16/h2-4,6-7,15,17,19H,5,8-14H2,1H3
InChIKeyFEJQHVFQACVQQJ-UHFFFAOYSA-N
XLogP2.11
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(piperidin-4-ylmethyl)amino]-1-phenylpiperidin-2-one?
The IUPAC name of 3-[methyl(piperidin-4-ylmethyl)amino]-1-phenylpiperidin-2-one (CID 119931878) is 3-[methyl(piperidin-4-ylmethyl)amino]-1-phenylpiperidin-2-one.
What is the SMILES notation for 3-[methyl(piperidin-4-ylmethyl)amino]-1-phenylpiperidin-2-one?
The canonical SMILES for 3-[methyl(piperidin-4-ylmethyl)amino]-1-phenylpiperidin-2-one is CN(CC1CCNCC1)C1CCCN(c2ccccc2)C1=O.
What is the InChIKey of 3-[methyl(piperidin-4-ylmethyl)amino]-1-phenylpiperidin-2-one?
The InChIKey is FEJQHVFQACVQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-20(14-15-9-11-19-12-10-15)17-8-5-13-21(18(17)22)16-6-3-2-4-7-16/h2-4,6-7,15,17,19H,5,8-14H2,1H3.
What are the key properties of 3-[methyl(piperidin-4-ylmethyl)amino]-1-phenylpiperidin-2-one?
3-[methyl(piperidin-4-ylmethyl)amino]-1-phenylpiperidin-2-one has a molecular weight of 301.43 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(piperidin-4-ylmethyl)amino]-1-phenylpiperidin-2-one is sourced from PubChem (CID 119931878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).