(4-methoxypiperidin-4-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone

C18H26N2O2 — CID 119807354

IUPAC(4-methoxypiperidin-4-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone
SMILESCOC1(C(=O)N2CCC(c3ccccc3)C2C)CCNCC1
InChIInChI=1S/C18H26N2O2/c1-14-16(15-6-4-3-5-7-15)8-13-20(14)17(21)18(22-2)9-11-19-12-10-18/h3-7,14,16,19H,8-13H2,1-2H3
InChIKeyIYFJPGNIZVEHQS-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.16
Rot. Bonds3

About (4-methoxypiperidin-4-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone

(4-methoxypiperidin-4-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone (PubChem CID 119807354) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (4-methoxypiperidin-4-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-methoxypiperidin-4-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone
PubChem CID119807354
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(4-methoxypiperidin-4-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone
SMILESCOC1(C(=O)N2CCC(c3ccccc3)C2C)CCNCC1
InChIInChI=1S/C18H26N2O2/c1-14-16(15-6-4-3-5-7-15)8-13-20(14)17(21)18(22-2)9-11-19-12-10-18/h3-7,14,16,19H,8-13H2,1-2H3
InChIKeyIYFJPGNIZVEHQS-UHFFFAOYSA-N
XLogP2.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-benzyl-2-methylpyrrolidin-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride
CID 119806940
(1-aminocyclopentyl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone
CID 119337122
(2R)-1-(4-methoxypiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 114284514
(2-methyl-3-phenylpyrrolidin-1-yl)-piperidin-3-ylmethanone
CID 119337130
(4-methoxypiperidin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 119675095
1,3-dihydroisoindol-2-yl-(4-methoxypiperidin-4-yl)methanone;hydrochloride
CID 119777882
(4-methoxypiperidin-4-yl)-[4-(2-phenylethoxy)piperidin-1-yl]methanone;hydrochloride
CID 119741426
2,3-dihydroindol-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 119673107
3-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride
CID 119783889
(4-methylpiperidin-4-yl)-(2-phenylpyrrolidin-1-yl)methanone
CID 63121925
N-[(1-benzylpiperidin-2-yl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119861772
1-(2-methyl-3-phenylpyrrolidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 119940002

Frequently Asked Questions

What is the IUPAC name of (4-methoxypiperidin-4-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-methoxypiperidin-4-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone (CID 119807354) is (4-methoxypiperidin-4-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-methoxypiperidin-4-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-methoxypiperidin-4-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone is COC1(C(=O)N2CCC(c3ccccc3)C2C)CCNCC1.
What is the InChIKey of (4-methoxypiperidin-4-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone?
The InChIKey is IYFJPGNIZVEHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-14-16(15-6-4-3-5-7-15)8-13-20(14)17(21)18(22-2)9-11-19-12-10-18/h3-7,14,16,19H,8-13H2,1-2H3.
What are the key properties of (4-methoxypiperidin-4-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone?
(4-methoxypiperidin-4-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone has a molecular weight of 302.42 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypiperidin-4-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 119807354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).