N-(5-acetamido-2-methoxyphenyl)-2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]acetamide

C23H33N5O3 — CID 30439536

IUPACN-(5-acetamido-2-methoxyphenyl)-2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CN1CCN(CCn2c(C)ccc2C)CC1
InChIInChI=1S/C23H33N5O3/c1-17-5-6-18(2)28(17)14-13-26-9-11-27(12-10-26)16-23(30)25-21-15-20(24-19(3)29)7-8-22(21)31-4/h5-8,15H,9-14,16H2,1-4H3,(H,24,29)(H,25,30)
InChIKeyQRECFADQOQNSRZ-UHFFFAOYSA-N
MW427.55 g/mol
LogP2.33
Rot. Bonds8

About N-(5-acetamido-2-methoxyphenyl)-2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]acetamide

N-(5-acetamido-2-methoxyphenyl)-2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]acetamide (PubChem CID 30439536) has the molecular formula C23H33N5O3 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]acetamide
PubChem CID30439536
Molecular FormulaC23H33N5O3
Molecular Weight427.55 g/mol
Exact Mass427.26
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CN1CCN(CCn2c(C)ccc2C)CC1
InChIInChI=1S/C23H33N5O3/c1-17-5-6-18(2)28(17)14-13-26-9-11-27(12-10-26)16-23(30)25-21-15-20(24-19(3)29)7-8-22(21)31-4/h5-8,15H,9-14,16H2,1-4H3,(H,24,29)(H,25,30)
InChIKeyQRECFADQOQNSRZ-UHFFFAOYSA-N
XLogP2.33
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
3-(2,5-Dimethyl-pyrrol-1-yl)-4-methoxy-phenylamine
CID 776878
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-[2-[1-Methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]ethyl]piperidin-2-one;hydrochloride
CID 45261955
1-{5-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-1-methyl-1H-pyrrol-2-ylmethyl}-azepan-2-one
CID 15724475
1-{5-[4-(2-Butoxy-phenyl)-piperazin-1-ylmethyl]-1-methyl-1H-pyrrol-2-ylmethyl}-azepan-2-one
CID 15724477
1-{5-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-1-methyl-1H-pyrrol-2-ylmethyl}-azocan-2-one
CID 15724479
1-{5-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-1H-pyrrol-2-ylmethyl}-pyrrolidin-2-one
CID 15724487

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]acetamide (CID 30439536) is N-(5-acetamido-2-methoxyphenyl)-2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]acetamide is COc1ccc(NC(C)=O)cc1NC(=O)CN1CCN(CCn2c(C)ccc2C)CC1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]acetamide?
The InChIKey is QRECFADQOQNSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O3/c1-17-5-6-18(2)28(17)14-13-26-9-11-27(12-10-26)16-23(30)25-21-15-20(24-19(3)29)7-8-22(21)31-4/h5-8,15H,9-14,16H2,1-4H3,(H,24,29)(H,25,30).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]acetamide?
N-(5-acetamido-2-methoxyphenyl)-2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]acetamide has a molecular weight of 427.55 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 30439536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).