4-methoxy-N-[2-[4-(1-methylpyrrolidin-3-yl)piperazin-1-yl]-2-oxoethyl]-N-phenylbenzamide

C25H32N4O3 — CID 22321844

IUPAC4-methoxy-N-[2-[4-(1-methylpyrrolidin-3-yl)piperazin-1-yl]-2-oxoethyl]-N-phenylbenzamide
SMILESCOc1ccc(C(=O)N(CC(=O)N2CCN(C3CCN(C)C3)CC2)c2ccccc2)cc1
InChIInChI=1S/C25H32N4O3/c1-26-13-12-22(18-26)27-14-16-28(17-15-27)24(30)19-29(21-6-4-3-5-7-21)25(31)20-8-10-23(32-2)11-9-20/h3-11,22H,12-19H2,1-2H3
InChIKeyMORJBUBDUNJCOG-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.19
Rot. Bonds6

About 4-methoxy-N-[2-[4-(1-methylpyrrolidin-3-yl)piperazin-1-yl]-2-oxoethyl]-N-phenylbenzamide

4-methoxy-N-[2-[4-(1-methylpyrrolidin-3-yl)piperazin-1-yl]-2-oxoethyl]-N-phenylbenzamide (PubChem CID 22321844) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 4-methoxy-N-[2-[4-(1-methylpyrrolidin-3-yl)piperazin-1-yl]-2-oxoethyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[4-(1-methylpyrrolidin-3-yl)piperazin-1-yl]-2-oxoethyl]-N-phenylbenzamide
PubChem CID22321844
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name4-methoxy-N-[2-[4-(1-methylpyrrolidin-3-yl)piperazin-1-yl]-2-oxoethyl]-N-phenylbenzamide
SMILESCOc1ccc(C(=O)N(CC(=O)N2CCN(C3CCN(C)C3)CC2)c2ccccc2)cc1
InChIInChI=1S/C25H32N4O3/c1-26-13-12-22(18-26)27-14-16-28(17-15-27)24(30)19-29(21-6-4-3-5-7-21)25(31)20-8-10-23(32-2)11-9-20/h3-11,22H,12-19H2,1-2H3
InChIKeyMORJBUBDUNJCOG-UHFFFAOYSA-N
XLogP2.19
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[4-(1-methylpyrrolidin-3-yl)piperazin-1-yl]-2-oxoethyl]-N-phenylbenzamide?
The IUPAC name of 4-methoxy-N-[2-[4-(1-methylpyrrolidin-3-yl)piperazin-1-yl]-2-oxoethyl]-N-phenylbenzamide (CID 22321844) is 4-methoxy-N-[2-[4-(1-methylpyrrolidin-3-yl)piperazin-1-yl]-2-oxoethyl]-N-phenylbenzamide.
What is the SMILES notation for 4-methoxy-N-[2-[4-(1-methylpyrrolidin-3-yl)piperazin-1-yl]-2-oxoethyl]-N-phenylbenzamide?
The canonical SMILES for 4-methoxy-N-[2-[4-(1-methylpyrrolidin-3-yl)piperazin-1-yl]-2-oxoethyl]-N-phenylbenzamide is COc1ccc(C(=O)N(CC(=O)N2CCN(C3CCN(C)C3)CC2)c2ccccc2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[4-(1-methylpyrrolidin-3-yl)piperazin-1-yl]-2-oxoethyl]-N-phenylbenzamide?
The InChIKey is MORJBUBDUNJCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-26-13-12-22(18-26)27-14-16-28(17-15-27)24(30)19-29(21-6-4-3-5-7-21)25(31)20-8-10-23(32-2)11-9-20/h3-11,22H,12-19H2,1-2H3.
What are the key properties of 4-methoxy-N-[2-[4-(1-methylpyrrolidin-3-yl)piperazin-1-yl]-2-oxoethyl]-N-phenylbenzamide?
4-methoxy-N-[2-[4-(1-methylpyrrolidin-3-yl)piperazin-1-yl]-2-oxoethyl]-N-phenylbenzamide has a molecular weight of 436.56 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[4-(1-methylpyrrolidin-3-yl)piperazin-1-yl]-2-oxoethyl]-N-phenylbenzamide is sourced from PubChem (CID 22321844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).