N-(4-fluorophenyl)-2-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]acetamide

C22H23FN4O3 — CID 46445784

IUPACN-(4-fluorophenyl)-2-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]acetamide
SMILESCOc1ccc2cc(C(=O)N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)[nH]c2c1
InChIInChI=1S/C22H23FN4O3/c1-30-18-7-2-15-12-20(25-19(15)13-18)22(29)27-10-8-26(9-11-27)14-21(28)24-17-5-3-16(23)4-6-17/h2-7,12-13,25H,8-11,14H2,1H3,(H,24,28)
InChIKeyZRHRWCGRMOJUQW-UHFFFAOYSA-N
MW410.45 g/mol
LogP2.71
Rot. Bonds5

About N-(4-fluorophenyl)-2-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]acetamide

N-(4-fluorophenyl)-2-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 46445784) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID46445784
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC NameN-(4-fluorophenyl)-2-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]acetamide
SMILESCOc1ccc2cc(C(=O)N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)[nH]c2c1
InChIInChI=1S/C22H23FN4O3/c1-30-18-7-2-15-12-20(25-19(15)13-18)22(29)27-10-8-26(9-11-27)14-21(28)24-17-5-3-16(23)4-6-17/h2-7,12-13,25H,8-11,14H2,1H3,(H,24,28)
InChIKeyZRHRWCGRMOJUQW-UHFFFAOYSA-N
XLogP2.71
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[4-(2-hydroxy-4-methoxybenzoyl)piperazin-1-yl]acetamide
CID 27849701
N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 7336695
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 36875241
(6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 4909282
ethyl 4-[2-(4-methoxyanilino)-2-oxoethyl]piperazine-1-carboxylate;hydrochloride
CID 44828363
(3,4-dimethoxyphenyl)-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 38486486
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 55544316
2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 27849985
2-[4-(cyanomethyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 586701
N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9129962
N-(4-fluorophenyl)-2-[4-(3-methylbenzoyl)piperazin-1-yl]acetamide
CID 27849975
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 36875625

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]acetamide (CID 46445784) is N-(4-fluorophenyl)-2-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]acetamide is COc1ccc2cc(C(=O)N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)[nH]c2c1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is ZRHRWCGRMOJUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-30-18-7-2-15-12-20(25-19(15)13-18)22(29)27-10-8-26(9-11-27)14-21(28)24-17-5-3-16(23)4-6-17/h2-7,12-13,25H,8-11,14H2,1H3,(H,24,28).
What are the key properties of N-(4-fluorophenyl)-2-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 410.45 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 46445784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).