7-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-1-methyl-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione

C23H30N4O3 — CID 10501731

IUPAC7-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-1-methyl-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione
SMILESCOc1cccc(N2CCN(CCCN3CCC(=O)c4ccn(C)c4C3=O)CC2)c1
InChIInChI=1S/C23H30N4O3/c1-24-11-7-20-21(28)8-12-27(23(29)22(20)24)10-4-9-25-13-15-26(16-14-25)18-5-3-6-19(17-18)30-2/h3,5-7,11,17H,4,8-10,12-16H2,1-2H3
InChIKeyAQRNYBQQEZUWNT-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.27
Rot. Bonds6

About 7-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-1-methyl-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione

7-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-1-methyl-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione (PubChem CID 10501731) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 7-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-1-methyl-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione.

Molecular Properties

Compound Name7-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-1-methyl-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione
PubChem CID10501731
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name7-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-1-methyl-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione
SMILESCOc1cccc(N2CCN(CCCN3CCC(=O)c4ccn(C)c4C3=O)CC2)c1
InChIInChI=1S/C23H30N4O3/c1-24-11-7-20-21(28)8-12-27(23(29)22(20)24)10-4-9-25-13-15-26(16-14-25)18-5-3-6-19(17-18)30-2/h3,5-7,11,17H,4,8-10,12-16H2,1-2H3
InChIKeyAQRNYBQQEZUWNT-UHFFFAOYSA-N
XLogP2.27
TPSA58.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione
CID 164621183
1-(6-chlorohexyl)-4-(3-methoxyphenyl)piperazine
CID 62229677
8-hydroxy-5-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-1-methyl-7,8-dihydro-6H-pyrrolo[3,2-c]azepin-4-one
CID 10597793
1-(2-chloroethyl)-4-(3-methoxyphenyl)piperazine;dihydrochloride
CID 11427409
5-chloro-1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one
CID 10549690
1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol
CID 141019589
2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]ethanamine
CID 79479255
1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine
CID 3050368
N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]propan-2-amine
CID 60841668
6-[4-(3-methoxyphenyl)piperazin-1-yl]hexan-3-amine
CID 106799286
[4-(3-methoxyphenyl)piperazin-1-yl]methanesulfinate
CID 174627257
1-(3-methoxyphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 171069764

Frequently Asked Questions

What is the IUPAC name of 7-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-1-methyl-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione?
The IUPAC name of 7-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-1-methyl-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione (CID 10501731) is 7-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-1-methyl-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione.
What is the SMILES notation for 7-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-1-methyl-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione?
The canonical SMILES for 7-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-1-methyl-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione is COc1cccc(N2CCN(CCCN3CCC(=O)c4ccn(C)c4C3=O)CC2)c1.
What is the InChIKey of 7-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-1-methyl-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione?
The InChIKey is AQRNYBQQEZUWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-24-11-7-20-21(28)8-12-27(23(29)22(20)24)10-4-9-25-13-15-26(16-14-25)18-5-3-6-19(17-18)30-2/h3,5-7,11,17H,4,8-10,12-16H2,1-2H3.
What are the key properties of 7-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-1-methyl-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione?
7-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-1-methyl-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione has a molecular weight of 410.52 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-1-methyl-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione is sourced from PubChem (CID 10501731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).