(3-methoxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone

C17H24N2O2 — CID 63256589

IUPAC(3-methoxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESCOc1cccc(C(=O)N2CCCCC2C2CCCN2)c1
InChIInChI=1S/C17H24N2O2/c1-21-14-7-4-6-13(12-14)17(20)19-11-3-2-9-16(19)15-8-5-10-18-15/h4,6-7,12,15-16,18H,2-3,5,8-11H2,1H3
InChIKeyUVDVGPBRMUMYEH-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.44
Rot. Bonds3

About (3-methoxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone

(3-methoxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone (PubChem CID 63256589) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (3-methoxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
PubChem CID63256589
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(3-methoxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESCOc1cccc(C(=O)N2CCCCC2C2CCCN2)c1
InChIInChI=1S/C17H24N2O2/c1-21-14-7-4-6-13(12-14)17(20)19-11-3-2-9-16(19)15-8-5-10-18-15/h4,6-7,12,15-16,18H,2-3,5,8-11H2,1H3
InChIKeyUVDVGPBRMUMYEH-UHFFFAOYSA-N
XLogP2.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methoxyphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 62273189
(4-methoxythiophen-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 81118490
(2,6-dihydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 107690258
1-(3-methoxybenzoyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one
CID 131640170
[(3R,3aS,8aS)-3-phenyl-3,3a,4,5,6,7,8,8a-octahydro-2H-pyrrolo[3,2-b]azepin-1-yl]-(3-methoxyphenyl)methanone
CID 110137634
[2-(2-hydroxypropyl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 79548686
methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 22212303
methyl 1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 531501
(2,6-dichlorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 62274244
[(2R)-1-(3-methoxybenzoyl)piperidin-2-yl]methylurea
CID 95306637
(2,3-difluorophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256799
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride
CID 119634499

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (3-methoxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone (CID 63256589) is (3-methoxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-methoxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (3-methoxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone is COc1cccc(C(=O)N2CCCCC2C2CCCN2)c1.
What is the InChIKey of (3-methoxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The InChIKey is UVDVGPBRMUMYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-21-14-7-4-6-13(12-14)17(20)19-11-3-2-9-16(19)15-8-5-10-18-15/h4,6-7,12,15-16,18H,2-3,5,8-11H2,1H3.
What are the key properties of (3-methoxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
(3-methoxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone has a molecular weight of 288.39 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 63256589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).