4-[1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-N,2-dimethylbenzamide

C24H29N3O4 — CID 45485411

IUPAC4-[1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-N,2-dimethylbenzamide
SMILESCNC(=O)c1ccc(OC(C)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)cc1C
InChIInChI=1S/C24H29N3O4/c1-16-14-20(10-11-21(16)22(28)25-4)31-18(3)23(29)27-13-12-26(15-17(27)2)24(30)19-8-6-5-7-9-19/h5-11,14,17-18H,12-13,15H2,1-4H3,(H,25,28)/t17-,18?/m1/s1
InChIKeyOZGKVRXNNDLXIA-QNSVNVJESA-N
MW423.51 g/mol
LogP2.50
Rot. Bonds5

About 4-[1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-N,2-dimethylbenzamide

4-[1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-N,2-dimethylbenzamide (PubChem CID 45485411) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is 4-[1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-N,2-dimethylbenzamide.

Molecular Properties

Compound Name4-[1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-N,2-dimethylbenzamide
PubChem CID45485411
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name4-[1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-N,2-dimethylbenzamide
SMILESCNC(=O)c1ccc(OC(C)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)cc1C
InChIInChI=1S/C24H29N3O4/c1-16-14-20(10-11-21(16)22(28)25-4)31-18(3)23(29)27-13-12-26(15-17(27)2)24(30)19-8-6-5-7-9-19/h5-11,14,17-18H,12-13,15H2,1-4H3,(H,25,28)/t17-,18?/m1/s1
InChIKeyOZGKVRXNNDLXIA-QNSVNVJESA-N
XLogP2.50
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-N,2-dimethylbenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-N,2-dimethylbenzamide?
The IUPAC name of 4-[1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-N,2-dimethylbenzamide (CID 45485411) is 4-[1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-N,2-dimethylbenzamide.
What is the SMILES notation for 4-[1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-N,2-dimethylbenzamide?
The canonical SMILES for 4-[1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-N,2-dimethylbenzamide is CNC(=O)c1ccc(OC(C)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)cc1C.
What is the InChIKey of 4-[1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-N,2-dimethylbenzamide?
The InChIKey is OZGKVRXNNDLXIA-QNSVNVJESA-N. The full InChI is InChI=1S/C24H29N3O4/c1-16-14-20(10-11-21(16)22(28)25-4)31-18(3)23(29)27-13-12-26(15-17(27)2)24(30)19-8-6-5-7-9-19/h5-11,14,17-18H,12-13,15H2,1-4H3,(H,25,28)/t17-,18?/m1/s1.
What are the key properties of 4-[1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-N,2-dimethylbenzamide?
4-[1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-N,2-dimethylbenzamide has a molecular weight of 423.51 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-N,2-dimethylbenzamide is sourced from PubChem (CID 45485411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).