(1-methyl-4-phenylpyrrolidin-3-yl)-(4-methylpiperazin-1-yl)methanone

C17H25N3O — CID 166828290

IUPAC(1-methyl-4-phenylpyrrolidin-3-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2CN(C)CC2c2ccccc2)CC1
InChIInChI=1S/C17H25N3O/c1-18-8-10-20(11-9-18)17(21)16-13-19(2)12-15(16)14-6-4-3-5-7-14/h3-7,15-16H,8-13H2,1-2H3
InChIKeyFDCQGTWZNUIZET-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.11
Rot. Bonds2

About (1-methyl-4-phenylpyrrolidin-3-yl)-(4-methylpiperazin-1-yl)methanone

(1-methyl-4-phenylpyrrolidin-3-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 166828290) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (1-methyl-4-phenylpyrrolidin-3-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-methyl-4-phenylpyrrolidin-3-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID166828290
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(1-methyl-4-phenylpyrrolidin-3-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2CN(C)CC2c2ccccc2)CC1
InChIInChI=1S/C17H25N3O/c1-18-8-10-20(11-9-18)17(21)16-13-19(2)12-15(16)14-6-4-3-5-7-14/h3-7,15-16H,8-13H2,1-2H3
InChIKeyFDCQGTWZNUIZET-UHFFFAOYSA-N
XLogP1.11
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-4-phenylpyrrolidin-3-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (1-methyl-4-phenylpyrrolidin-3-yl)-(4-methylpiperazin-1-yl)methanone (CID 166828290) is (1-methyl-4-phenylpyrrolidin-3-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-methyl-4-phenylpyrrolidin-3-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (1-methyl-4-phenylpyrrolidin-3-yl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)C2CN(C)CC2c2ccccc2)CC1.
What is the InChIKey of (1-methyl-4-phenylpyrrolidin-3-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is FDCQGTWZNUIZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-18-8-10-20(11-9-18)17(21)16-13-19(2)12-15(16)14-6-4-3-5-7-14/h3-7,15-16H,8-13H2,1-2H3.
What are the key properties of (1-methyl-4-phenylpyrrolidin-3-yl)-(4-methylpiperazin-1-yl)methanone?
(1-methyl-4-phenylpyrrolidin-3-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 287.41 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-4-phenylpyrrolidin-3-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 166828290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).