4-[4-(cyclohexylmethyl)piperazin-1-yl]-5-fluoro-N-(5-formamido-5-oxopentan-2-yl)-2-formyl-N-methylbenzamide

C26H37FN4O4 — CID 177190852

IUPAC4-[4-(cyclohexylmethyl)piperazin-1-yl]-5-fluoro-N-(5-formamido-5-oxopentan-2-yl)-2-formyl-N-methylbenzamide
SMILESCC(CCC(=O)NC=O)N(C)C(=O)c1cc(F)c(N2CCN(CC3CCCCC3)CC2)cc1C=O
InChIInChI=1S/C26H37FN4O4/c1-19(8-9-25(34)28-18-33)29(2)26(35)22-15-23(27)24(14-21(22)17-32)31-12-10-30(11-13-31)16-20-6-4-3-5-7-20/h14-15,17-20H,3-13,16H2,1-2H3,(H,28,33,34)
InChIKeyIKBGNTBZIKNBFD-UHFFFAOYSA-N
MW488.60 g/mol
LogP2.85
Rot. Bonds10

About 4-[4-(cyclohexylmethyl)piperazin-1-yl]-5-fluoro-N-(5-formamido-5-oxopentan-2-yl)-2-formyl-N-methylbenzamide

4-[4-(cyclohexylmethyl)piperazin-1-yl]-5-fluoro-N-(5-formamido-5-oxopentan-2-yl)-2-formyl-N-methylbenzamide (PubChem CID 177190852) has the molecular formula C26H37FN4O4 and a molecular weight of 488.60 g/mol. Its IUPAC name is 4-[4-(cyclohexylmethyl)piperazin-1-yl]-5-fluoro-N-(5-formamido-5-oxopentan-2-yl)-2-formyl-N-methylbenzamide.

Molecular Properties

Compound Name4-[4-(cyclohexylmethyl)piperazin-1-yl]-5-fluoro-N-(5-formamido-5-oxopentan-2-yl)-2-formyl-N-methylbenzamide
PubChem CID177190852
Molecular FormulaC26H37FN4O4
Molecular Weight488.60 g/mol
Exact Mass488.28
IUPAC Name4-[4-(cyclohexylmethyl)piperazin-1-yl]-5-fluoro-N-(5-formamido-5-oxopentan-2-yl)-2-formyl-N-methylbenzamide
SMILESCC(CCC(=O)NC=O)N(C)C(=O)c1cc(F)c(N2CCN(CC3CCCCC3)CC2)cc1C=O
InChIInChI=1S/C26H37FN4O4/c1-19(8-9-25(34)28-18-33)29(2)26(35)22-15-23(27)24(14-21(22)17-32)31-12-10-30(11-13-31)16-20-6-4-3-5-7-20/h14-15,17-20H,3-13,16H2,1-2H3,(H,28,33,34)
InChIKeyIKBGNTBZIKNBFD-UHFFFAOYSA-N
XLogP2.85
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.60
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-[4-(cyclohexylmethyl)piperazin-1-yl]-5-fluoro-N-(5-formamido-5-oxopentan-2-yl)-2-formyl-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclohexylmethyl)piperazin-1-yl]-5-fluoro-N-(5-formamido-5-oxopentan-2-yl)-2-formyl-N-methylbenzamide?
The IUPAC name of 4-[4-(cyclohexylmethyl)piperazin-1-yl]-5-fluoro-N-(5-formamido-5-oxopentan-2-yl)-2-formyl-N-methylbenzamide (CID 177190852) is 4-[4-(cyclohexylmethyl)piperazin-1-yl]-5-fluoro-N-(5-formamido-5-oxopentan-2-yl)-2-formyl-N-methylbenzamide.
What is the SMILES notation for 4-[4-(cyclohexylmethyl)piperazin-1-yl]-5-fluoro-N-(5-formamido-5-oxopentan-2-yl)-2-formyl-N-methylbenzamide?
The canonical SMILES for 4-[4-(cyclohexylmethyl)piperazin-1-yl]-5-fluoro-N-(5-formamido-5-oxopentan-2-yl)-2-formyl-N-methylbenzamide is CC(CCC(=O)NC=O)N(C)C(=O)c1cc(F)c(N2CCN(CC3CCCCC3)CC2)cc1C=O.
What is the InChIKey of 4-[4-(cyclohexylmethyl)piperazin-1-yl]-5-fluoro-N-(5-formamido-5-oxopentan-2-yl)-2-formyl-N-methylbenzamide?
The InChIKey is IKBGNTBZIKNBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37FN4O4/c1-19(8-9-25(34)28-18-33)29(2)26(35)22-15-23(27)24(14-21(22)17-32)31-12-10-30(11-13-31)16-20-6-4-3-5-7-20/h14-15,17-20H,3-13,16H2,1-2H3,(H,28,33,34).
What are the key properties of 4-[4-(cyclohexylmethyl)piperazin-1-yl]-5-fluoro-N-(5-formamido-5-oxopentan-2-yl)-2-formyl-N-methylbenzamide?
4-[4-(cyclohexylmethyl)piperazin-1-yl]-5-fluoro-N-(5-formamido-5-oxopentan-2-yl)-2-formyl-N-methylbenzamide has a molecular weight of 488.60 g/mol, XLogP of 2.85, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclohexylmethyl)piperazin-1-yl]-5-fluoro-N-(5-formamido-5-oxopentan-2-yl)-2-formyl-N-methylbenzamide is sourced from PubChem (CID 177190852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).