2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenyl-2-(propylamino)ethanone

C22H29N3O2 — CID 67704511

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenyl-2-(propylamino)ethanone
SMILESCCCNC(C(=O)c1ccccc1)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C22H29N3O2/c1-3-13-23-22(21(26)18-9-5-4-6-10-18)25-16-14-24(15-17-25)19-11-7-8-12-20(19)27-2/h4-12,22-23H,3,13-17H2,1-2H3
InChIKeyXRECBAJZNWAVPA-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.03
Rot. Bonds8

About 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenyl-2-(propylamino)ethanone

2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenyl-2-(propylamino)ethanone (PubChem CID 67704511) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenyl-2-(propylamino)ethanone.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenyl-2-(propylamino)ethanone
PubChem CID67704511
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenyl-2-(propylamino)ethanone
SMILESCCCNC(C(=O)c1ccccc1)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C22H29N3O2/c1-3-13-23-22(21(26)18-9-5-4-6-10-18)25-16-14-24(15-17-25)19-11-7-8-12-20(19)27-2/h4-12,22-23H,3,13-17H2,1-2H3
InChIKeyXRECBAJZNWAVPA-UHFFFAOYSA-N
XLogP3.03
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 6468080
2-(butan-2-ylamino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 108993359
methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
CID 47016293
(1S,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol
CID 46832946
2-[4-(2-methoxyphenyl)piperazin-1-yl]butanamide
CID 62901603
4-(2-methoxyphenyl)-N-pentylpiperazine-1-carboxamide
CID 41353621
2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutanoic acid
CID 22681684
5-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methyl-5-oxo-N-propylpentanamide
CID 4637829
N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 17445171
1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide
CID 108970253
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(1R)-1-phenylbutyl]propanamide
CID 9346063
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide
CID 17392933

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenyl-2-(propylamino)ethanone?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenyl-2-(propylamino)ethanone (CID 67704511) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenyl-2-(propylamino)ethanone.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenyl-2-(propylamino)ethanone?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenyl-2-(propylamino)ethanone is CCCNC(C(=O)c1ccccc1)N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenyl-2-(propylamino)ethanone?
The InChIKey is XRECBAJZNWAVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-3-13-23-22(21(26)18-9-5-4-6-10-18)25-16-14-24(15-17-25)19-11-7-8-12-20(19)27-2/h4-12,22-23H,3,13-17H2,1-2H3.
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenyl-2-(propylamino)ethanone?
2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenyl-2-(propylamino)ethanone has a molecular weight of 367.49 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenyl-2-(propylamino)ethanone is sourced from PubChem (CID 67704511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).