1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]azepan-2-one

C24H34N4O2 — CID 15724475

IUPAC1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]azepan-2-one
SMILESCOc1ccccc1N1CCN(Cc2ccc(CN3CCCCCC3=O)n2C)CC1
InChIInChI=1S/C24H34N4O2/c1-25-20(11-12-21(25)19-28-13-7-3-4-10-24(28)29)18-26-14-16-27(17-15-26)22-8-5-6-9-23(22)30-2/h5-6,8-9,11-12H,3-4,7,10,13-19H2,1-2H3
InChIKeyJZPBMEODQISYNB-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.26
Rot. Bonds6

About 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]azepan-2-one

1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]azepan-2-one (PubChem CID 15724475) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]azepan-2-one.

Molecular Properties

Compound Name1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]azepan-2-one
PubChem CID15724475
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC Name1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]azepan-2-one
SMILESCOc1ccccc1N1CCN(Cc2ccc(CN3CCCCCC3=O)n2C)CC1
InChIInChI=1S/C24H34N4O2/c1-25-20(11-12-21(25)19-28-13-7-3-4-10-24(28)29)18-26-14-16-27(17-15-26)22-8-5-6-9-23(22)30-2/h5-6,8-9,11-12H,3-4,7,10,13-19H2,1-2H3
InChIKeyJZPBMEODQISYNB-UHFFFAOYSA-N
XLogP3.26
TPSA40.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]azepan-2-one with MolForge

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Related Compounds

1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-1-methyl-1H-pyrrol-2-ylmethyl}-piperidin-2-one
CID 9910257
1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-1-methyl-1H-pyrrol-2-ylmethyl}-azepan-2-one
CID 15724476
1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-1-methyl-1H-pyrrol-2-ylmethyl}-azocan-2-one
CID 15724480
butanedioic acid;N-methyl-N-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]pentanamide
CID 46905419
butanedioic acid;N,2-dimethyl-N-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]propanamide
CID 46905422
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylpyrrole-2-carboxamide
CID 10315346
1-{5-[4-(2-sec-Butoxy-phenyl)-piperazin-1-ylmethyl]-1-methyl-1H-pyrrol-2-ylmethyl}-piperidin-2-one
CID 15124076
1-{5-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-1-methyl-1H-pyrrol-2-ylmethyl}-piperidin-2-one
CID 15724501
1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-1H-pyrrol-2-ylmethyl}-piperidin-2-one
CID 15724502
1-[[6-[[4-(2-Propan-2-yloxyphenyl)piperazin-1-yl]methyl]-2-pyridinyl]methyl]piperidin-2-one;hydrochloride
CID 19011651
1-[2-[1-Methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]ethyl]piperidin-2-one;hydrochloride
CID 45261955
1-{4-[(1-methyl-1H-pyrrol-2-yl)methyl]piperazin-1-yl}-2-phenoxyethanone
CID 828791

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]azepan-2-one?
The IUPAC name of 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]azepan-2-one (CID 15724475) is 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]azepan-2-one.
What is the SMILES notation for 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]azepan-2-one?
The canonical SMILES for 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]azepan-2-one is COc1ccccc1N1CCN(Cc2ccc(CN3CCCCCC3=O)n2C)CC1.
What is the InChIKey of 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]azepan-2-one?
The InChIKey is JZPBMEODQISYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-25-20(11-12-21(25)19-28-13-7-3-4-10-24(28)29)18-26-14-16-27(17-15-26)22-8-5-6-9-23(22)30-2/h5-6,8-9,11-12H,3-4,7,10,13-19H2,1-2H3.
What are the key properties of 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]azepan-2-one?
1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]azepan-2-one has a molecular weight of 410.56 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]azepan-2-one is sourced from PubChem (CID 15724475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).