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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Related Compounds

1-methyl-5-(4-methylpiperidine-1-carbonyl)-6-phenylpiperidin-2-one
CID 56730517
5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-methyl-6-phenylpiperidin-2-one
CID 119663142
1-methyl-5-[3-(methylamino)piperidine-1-carbonyl]-6-phenylpiperidin-2-one;hydrochloride
CID 119490707
[3-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 81479336
5-(4-benzylpiperidine-1-carbonyl)-1-methyl-6-(1-methylpyrazol-4-yl)piperidin-2-one
CID 136526026
(4S,5S)-4-[(3S)-3-(aminomethyl)pyrrolidine-1-carbonyl]-1-methyl-5-thiophen-2-ylpyrrolidin-2-one
CID 125146356
1-[2-(3-chlorophenyl)-1-methyl-6-oxopiperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354141
N-(2-aminoethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide;hydrochloride
CID 119383801
(5R,6S)-1-methyl-6-(4-methylphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one
CID 95738417
(5R,6R)-1-methyl-6-(4-methylphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one
CID 95738418
5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-methyl-6-(1-methylpyrazol-4-yl)piperidin-2-one;dihydrochloride
CID 120747661
(5S,6R)-6-(4-methoxyphenyl)-1-methyl-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one
CID 95740299

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).