N-methyl-N-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]acetamide

C23H34N4O2 — CID 10763417

IUPACN-methyl-N-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]acetamide
SMILESCC(=O)N(C)Cc1ccc(CN2CCN(c3ccccc3OC(C)C)CC2)n1C
InChIInChI=1S/C23H34N4O2/c1-18(2)29-23-9-7-6-8-22(23)27-14-12-26(13-15-27)17-21-11-10-20(25(21)5)16-24(4)19(3)28/h6-11,18H,12-17H2,1-5H3
InChIKeyZIOSSBQRBPKWQN-UHFFFAOYSA-N
MW398.55 g/mol
LogP3.11
Rot. Bonds7

About N-methyl-N-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]acetamide

N-methyl-N-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]acetamide (PubChem CID 10763417) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-methyl-N-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]acetamide
PubChem CID10763417
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC NameN-methyl-N-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]acetamide
SMILESCC(=O)N(C)Cc1ccc(CN2CCN(c3ccccc3OC(C)C)CC2)n1C
InChIInChI=1S/C23H34N4O2/c1-18(2)29-23-9-7-6-8-22(23)27-14-12-26(13-15-27)17-21-11-10-20(25(21)5)16-24(4)19(3)28/h6-11,18H,12-17H2,1-5H3
InChIKeyZIOSSBQRBPKWQN-UHFFFAOYSA-N
XLogP3.11
TPSA40.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]acetamide?
The IUPAC name of N-methyl-N-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]acetamide (CID 10763417) is N-methyl-N-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]acetamide.
What is the SMILES notation for N-methyl-N-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]acetamide?
The canonical SMILES for N-methyl-N-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]acetamide is CC(=O)N(C)Cc1ccc(CN2CCN(c3ccccc3OC(C)C)CC2)n1C.
What is the InChIKey of N-methyl-N-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]acetamide?
The InChIKey is ZIOSSBQRBPKWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-18(2)29-23-9-7-6-8-22(23)27-14-12-26(13-15-27)17-21-11-10-20(25(21)5)16-24(4)19(3)28/h6-11,18H,12-17H2,1-5H3.
What are the key properties of N-methyl-N-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]acetamide?
N-methyl-N-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]acetamide has a molecular weight of 398.55 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]acetamide is sourced from PubChem (CID 10763417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).