5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1-methyl-6-phenylpiperidin-2-one

C18H25N3O2 — CID 119485273

IUPAC5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1-methyl-6-phenylpiperidin-2-one
SMILESCN1C(=O)CCC(C(=O)N2CCC(CN)C2)C1c1ccccc1
InChIInChI=1S/C18H25N3O2/c1-20-16(22)8-7-15(17(20)14-5-3-2-4-6-14)18(23)21-10-9-13(11-19)12-21/h2-6,13,15,17H,7-12,19H2,1H3
InChIKeyYNIAOCFOXQIBBF-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.40
Rot. Bonds3

About 5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1-methyl-6-phenylpiperidin-2-one

5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1-methyl-6-phenylpiperidin-2-one (PubChem CID 119485273) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1-methyl-6-phenylpiperidin-2-one.

Molecular Properties

Compound Name5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1-methyl-6-phenylpiperidin-2-one
PubChem CID119485273
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1-methyl-6-phenylpiperidin-2-one
SMILESCN1C(=O)CCC(C(=O)N2CCC(CN)C2)C1c1ccccc1
InChIInChI=1S/C18H25N3O2/c1-20-16(22)8-7-15(17(20)14-5-3-2-4-6-14)18(23)21-10-9-13(11-19)12-21/h2-6,13,15,17H,7-12,19H2,1H3
InChIKeyYNIAOCFOXQIBBF-UHFFFAOYSA-N
XLogP1.40
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1-methyl-6-phenylpiperidin-2-one?
The IUPAC name of 5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1-methyl-6-phenylpiperidin-2-one (CID 119485273) is 5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1-methyl-6-phenylpiperidin-2-one.
What is the SMILES notation for 5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1-methyl-6-phenylpiperidin-2-one?
The canonical SMILES for 5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1-methyl-6-phenylpiperidin-2-one is CN1C(=O)CCC(C(=O)N2CCC(CN)C2)C1c1ccccc1.
What is the InChIKey of 5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1-methyl-6-phenylpiperidin-2-one?
The InChIKey is YNIAOCFOXQIBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-20-16(22)8-7-15(17(20)14-5-3-2-4-6-14)18(23)21-10-9-13(11-19)12-21/h2-6,13,15,17H,7-12,19H2,1H3.
What are the key properties of 5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1-methyl-6-phenylpiperidin-2-one?
5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1-methyl-6-phenylpiperidin-2-one has a molecular weight of 315.42 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1-methyl-6-phenylpiperidin-2-one is sourced from PubChem (CID 119485273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).