N-(2,4-difluorophenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide

C19H23F2N3O3 — CID 109147669

IUPACN-(2,4-difluorophenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
SMILESO=CN1CCN(C(=O)C2CCC(C(=O)Nc3ccc(F)cc3F)CC2)CC1
InChIInChI=1S/C19H23F2N3O3/c20-15-5-6-17(16(21)11-15)22-18(26)13-1-3-14(4-2-13)19(27)24-9-7-23(12-25)8-10-24/h5-6,11-14H,1-4,7-10H2,(H,22,26)
InChIKeyMBWASVBXUCLCHV-UHFFFAOYSA-N
MW379.41 g/mol
LogP2.01
Rot. Bonds4

About N-(2,4-difluorophenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide

N-(2,4-difluorophenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 109147669) has the molecular formula C19H23F2N3O3 and a molecular weight of 379.41 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID109147669
Molecular FormulaC19H23F2N3O3
Molecular Weight379.41 g/mol
Exact Mass379.17
IUPAC NameN-(2,4-difluorophenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
SMILESO=CN1CCN(C(=O)C2CCC(C(=O)Nc3ccc(F)cc3F)CC2)CC1
InChIInChI=1S/C19H23F2N3O3/c20-15-5-6-17(16(21)11-15)22-18(26)13-1-3-14(4-2-13)19(27)24-9-7-23(12-25)8-10-24/h5-6,11-14H,1-4,7-10H2,(H,22,26)
InChIKeyMBWASVBXUCLCHV-UHFFFAOYSA-N
XLogP2.01
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 26722049
N-(4-chloro-2-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 26410092
N-(2-ethoxyphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147660
N-(2,4-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxamide
CID 109150603
N-(2-fluorophenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146012
4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2,4-difluorophenyl)benzamide
CID 110426763
N-(2,4-difluorophenyl)-4-(methylamino)cyclohexane-1-carboxamide
CID 115150615
N-(2,4-difluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31783205
cis-(1S,3R)-3-[(2,4-difluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114091643
N-(2,6-diethylphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147643
tert-butyl 4-[(2,4-difluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 9209463
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 17490744

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide (CID 109147669) is N-(2,4-difluorophenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide is O=CN1CCN(C(=O)C2CCC(C(=O)Nc3ccc(F)cc3F)CC2)CC1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is MBWASVBXUCLCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O3/c20-15-5-6-17(16(21)11-15)22-18(26)13-1-3-14(4-2-13)19(27)24-9-7-23(12-25)8-10-24/h5-6,11-14H,1-4,7-10H2,(H,22,26).
What are the key properties of N-(2,4-difluorophenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
N-(2,4-difluorophenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 379.41 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109147669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).