3-(4-acetamidophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-fluorene-1-carboxamide

C28H28N4O3 — CID 160879979

IUPAC3-(4-acetamidophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-fluorene-1-carboxamide
SMILESCC(=O)Nc1ccc(-c2cc(C(N)=O)c3c(c2)-c2ccc(C(=O)N4CCN(C)CC4)cc2C3)cc1
InChIInChI=1S/C28H28N4O3/c1-17(33)30-22-6-3-18(4-7-22)20-14-24-23-8-5-19(28(35)32-11-9-31(2)10-12-32)13-21(23)16-25(24)26(15-20)27(29)34/h3-8,13-15H,9-12,16H2,1-2H3,(H2,29,34)(H,30,33)
InChIKeySMXDNWZXZYAHNP-UHFFFAOYSA-N
MW468.56 g/mol
LogP3.37
Rot. Bonds4

About 3-(4-acetamidophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-fluorene-1-carboxamide

3-(4-acetamidophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-fluorene-1-carboxamide (PubChem CID 160879979) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is 3-(4-acetamidophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-fluorene-1-carboxamide.

Molecular Properties

Compound Name3-(4-acetamidophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-fluorene-1-carboxamide
PubChem CID160879979
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC Name3-(4-acetamidophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-fluorene-1-carboxamide
SMILESCC(=O)Nc1ccc(-c2cc(C(N)=O)c3c(c2)-c2ccc(C(=O)N4CCN(C)CC4)cc2C3)cc1
InChIInChI=1S/C28H28N4O3/c1-17(33)30-22-6-3-18(4-7-22)20-14-24-23-8-5-19(28(35)32-11-9-31(2)10-12-32)13-21(23)16-25(24)26(15-20)27(29)34/h3-8,13-15H,9-12,16H2,1-2H3,(H2,29,34)(H,30,33)
InChIKeySMXDNWZXZYAHNP-UHFFFAOYSA-N
XLogP3.37
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-7-(4-methylpiperazine-1-carbonyl)-9H-fluorene-1-carboxamide
CID 153105516
7-(morpholine-4-carbonyl)-3-(4-morpholin-4-ylphenyl)-9H-fluorene-1-carboxamide
CID 149273217
7-(morpholine-4-carbonyl)-3-thiophen-3-yl-9H-fluorene-1-carboxamide
CID 159441478
7-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-3-(3-fluoro-4-methoxyphenyl)-9H-fluorene-1-carboxamide
CID 146851107
7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-(3-methoxyphenyl)-9H-fluorene-1-carboxamide
CID 157375270
3-(2-cyanopyrimidin-5-yl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide
CID 159940152
7-(morpholine-4-carbonyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)-9H-fluorene-1-carboxamide
CID 147925971
3-(2-methyl-1,3-thiazol-4-yl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide
CID 152964048
3-(3-chloro-4-pyridinyl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide
CID 161097757
7-(morpholine-4-carbonyl)-3-(2-phenylmethoxypyrimidin-5-yl)-9H-fluorene-1-carboxamide
CID 148746011
4-(4-methylpiperazine-1-carbonyl)benzamide
CID 60645843
2-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 119946776

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamidophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-fluorene-1-carboxamide?
The IUPAC name of 3-(4-acetamidophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-fluorene-1-carboxamide (CID 160879979) is 3-(4-acetamidophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-fluorene-1-carboxamide.
What is the SMILES notation for 3-(4-acetamidophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-fluorene-1-carboxamide?
The canonical SMILES for 3-(4-acetamidophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-fluorene-1-carboxamide is CC(=O)Nc1ccc(-c2cc(C(N)=O)c3c(c2)-c2ccc(C(=O)N4CCN(C)CC4)cc2C3)cc1.
What is the InChIKey of 3-(4-acetamidophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-fluorene-1-carboxamide?
The InChIKey is SMXDNWZXZYAHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3/c1-17(33)30-22-6-3-18(4-7-22)20-14-24-23-8-5-19(28(35)32-11-9-31(2)10-12-32)13-21(23)16-25(24)26(15-20)27(29)34/h3-8,13-15H,9-12,16H2,1-2H3,(H2,29,34)(H,30,33).
What are the key properties of 3-(4-acetamidophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-fluorene-1-carboxamide?
3-(4-acetamidophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-fluorene-1-carboxamide has a molecular weight of 468.56 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamidophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-fluorene-1-carboxamide is sourced from PubChem (CID 160879979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).