3-(3-methoxyphenyl)-1-(4-pyrrolidin-3-ylpiperidin-1-yl)propan-1-one

C19H28N2O2 — CID 91910145

IUPAC3-(3-methoxyphenyl)-1-(4-pyrrolidin-3-ylpiperidin-1-yl)propan-1-one
SMILESCOc1cccc(CCC(=O)N2CCC(C3CCNC3)CC2)c1
InChIInChI=1S/C19H28N2O2/c1-23-18-4-2-3-15(13-18)5-6-19(22)21-11-8-16(9-12-21)17-7-10-20-14-17/h2-4,13,16-17,20H,5-12,14H2,1H3
InChIKeyHYJADECSXPIGQH-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.48
Rot. Bonds5

About 3-(3-methoxyphenyl)-1-(4-pyrrolidin-3-ylpiperidin-1-yl)propan-1-one

3-(3-methoxyphenyl)-1-(4-pyrrolidin-3-ylpiperidin-1-yl)propan-1-one (PubChem CID 91910145) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-(4-pyrrolidin-3-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-(4-pyrrolidin-3-ylpiperidin-1-yl)propan-1-one
PubChem CID91910145
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name3-(3-methoxyphenyl)-1-(4-pyrrolidin-3-ylpiperidin-1-yl)propan-1-one
SMILESCOc1cccc(CCC(=O)N2CCC(C3CCNC3)CC2)c1
InChIInChI=1S/C19H28N2O2/c1-23-18-4-2-3-15(13-18)5-6-19(22)21-11-8-16(9-12-21)17-7-10-20-14-17/h2-4,13,16-17,20H,5-12,14H2,1H3
InChIKeyHYJADECSXPIGQH-UHFFFAOYSA-N
XLogP2.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-methoxyphenyl)-1-(4-pyrrolidin-3-ylpiperidin-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 71765531
CID 71765531
CID 73346043
CID 73346043
CID 10750842
CID 10750842
CID 71508234
CID 71508234
CID 10104923
CID 10104923
CID 11107609
CID 11107609
CID 11821384
CID 11821384
CID 22922685
CID 22922685
CID 703658
CID 703658
CID 3946238
CID 3946238
CID 653397
CID 653397
CID 10584457
CID 10584457

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-(4-pyrrolidin-3-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(3-methoxyphenyl)-1-(4-pyrrolidin-3-ylpiperidin-1-yl)propan-1-one (CID 91910145) is 3-(3-methoxyphenyl)-1-(4-pyrrolidin-3-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-(4-pyrrolidin-3-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(3-methoxyphenyl)-1-(4-pyrrolidin-3-ylpiperidin-1-yl)propan-1-one is COc1cccc(CCC(=O)N2CCC(C3CCNC3)CC2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-(4-pyrrolidin-3-ylpiperidin-1-yl)propan-1-one?
The InChIKey is HYJADECSXPIGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-23-18-4-2-3-15(13-18)5-6-19(22)21-11-8-16(9-12-21)17-7-10-20-14-17/h2-4,13,16-17,20H,5-12,14H2,1H3.
What are the key properties of 3-(3-methoxyphenyl)-1-(4-pyrrolidin-3-ylpiperidin-1-yl)propan-1-one?
3-(3-methoxyphenyl)-1-(4-pyrrolidin-3-ylpiperidin-1-yl)propan-1-one has a molecular weight of 316.44 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-(4-pyrrolidin-3-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 91910145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).