ethane;2-[[5-fluoro-6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]amino]-N-methyl-5-oxopentanamide

C24H41FN6O2 — CID 177356048

IUPACethane;2-[[5-fluoro-6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]amino]-N-methyl-5-oxopentanamide
SMILESCC.CNC(=O)C(CCC=O)Nc1cnc(N2CCN(CC3CCN(C)CC3)CC2)c(F)c1
InChIInChI=1S/C22H35FN6O2.C2H6/c1-24-22(31)20(4-3-13-30)26-18-14-19(23)21(25-15-18)29-11-9-28(10-12-29)16-17-5-7-27(2)8-6-17;1-2/h13-15,17,20,26H,3-12,16H2,1-2H3,(H,24,31);1-2H3
InChIKeyHXOCYZUEIKJNEH-UHFFFAOYSA-N
MW464.63 g/mol
LogP2.22
Rot. Bonds9

About ethane;2-[[5-fluoro-6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]amino]-N-methyl-5-oxopentanamide

ethane;2-[[5-fluoro-6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]amino]-N-methyl-5-oxopentanamide (PubChem CID 177356048) has the molecular formula C24H41FN6O2 and a molecular weight of 464.63 g/mol. Its IUPAC name is ethane;2-[[5-fluoro-6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]amino]-N-methyl-5-oxopentanamide.

Molecular Properties

Compound Nameethane;2-[[5-fluoro-6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]amino]-N-methyl-5-oxopentanamide
PubChem CID177356048
Molecular FormulaC24H41FN6O2
Molecular Weight464.63 g/mol
Exact Mass464.33
IUPAC Nameethane;2-[[5-fluoro-6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]amino]-N-methyl-5-oxopentanamide
SMILESCC.CNC(=O)C(CCC=O)Nc1cnc(N2CCN(CC3CCN(C)CC3)CC2)c(F)c1
InChIInChI=1S/C22H35FN6O2.C2H6/c1-24-22(31)20(4-3-13-30)26-18-14-19(23)21(25-15-18)29-11-9-28(10-12-29)16-17-5-7-27(2)8-6-17;1-2/h13-15,17,20,26H,3-12,16H2,1-2H3,(H,24,31);1-2H3
InChIKeyHXOCYZUEIKJNEH-UHFFFAOYSA-N
XLogP2.22
TPSA80.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.63
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[3,5-difluoro-4-[6-[[1-(2-formamidoacetyl)piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]anilino]-N-methyl-5-oxopentanamide
CID 177160541
2-[3,3-difluoro-4-[2-fluoro-4-[[1-(methylamino)-1,5-dioxopentan-2-yl]amino]phenyl]piperidin-1-yl]acetic acid
CID 166168444
N-(1,5-dioxopentan-2-yl)-4-fluoro-2-formyl-N-methyl-5-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]benzamide
CID 178000591
2-[3-cyano-4-[4-(2-propylpentyl)piperazin-1-yl]anilino]-N-methyl-5-oxopentanamide
CID 177355641
2-[4-[4-(cyclohexylmethyl)piperazin-1-yl]-3-fluoro-2-[formyl(methyl)amino]-N-methylanilino]-N-methyl-5-oxopentanamide
CID 170953033
tert-butyl 4-[[1-[7-fluoro-2-[1-(methylamino)-1,5-dioxopentan-2-yl]-3-oxo-1H-isoindol-4-yl]piperidin-4-yl]methyl]piperazine-1-carboxylate
CID 165137618
5-bromo-3-fluoro-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine
CID 104923920
2-[[5-[4-[[1-(3-ethyl-4-formylphenyl)piperidin-4-yl]methyl]piperazin-1-yl]-4-fluoro-2-methylphenyl]methyl-formylamino]-N-methyl-5-oxopentanamide
CID 166981532
4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-5-fluoropyrimidin-2-amine
CID 80799247
N-methyl-5-oxo-2-[4-propan-2-yl-3-(trifluoromethyl)anilino]pentanamide
CID 170749859
ethane;1-[(1-methylpiperidin-4-yl)methyl]-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine
CID 171069831
1-(3-fluoro-2-pyridinyl)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazine
CID 50976058

Frequently Asked Questions

What is the IUPAC name of ethane;2-[[5-fluoro-6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]amino]-N-methyl-5-oxopentanamide?
The IUPAC name of ethane;2-[[5-fluoro-6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]amino]-N-methyl-5-oxopentanamide (CID 177356048) is ethane;2-[[5-fluoro-6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]amino]-N-methyl-5-oxopentanamide.
What is the SMILES notation for ethane;2-[[5-fluoro-6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]amino]-N-methyl-5-oxopentanamide?
The canonical SMILES for ethane;2-[[5-fluoro-6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]amino]-N-methyl-5-oxopentanamide is CC.CNC(=O)C(CCC=O)Nc1cnc(N2CCN(CC3CCN(C)CC3)CC2)c(F)c1.
What is the InChIKey of ethane;2-[[5-fluoro-6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]amino]-N-methyl-5-oxopentanamide?
The InChIKey is HXOCYZUEIKJNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35FN6O2.C2H6/c1-24-22(31)20(4-3-13-30)26-18-14-19(23)21(25-15-18)29-11-9-28(10-12-29)16-17-5-7-27(2)8-6-17;1-2/h13-15,17,20,26H,3-12,16H2,1-2H3,(H,24,31);1-2H3.
What are the key properties of ethane;2-[[5-fluoro-6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]amino]-N-methyl-5-oxopentanamide?
ethane;2-[[5-fluoro-6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]amino]-N-methyl-5-oxopentanamide has a molecular weight of 464.63 g/mol, XLogP of 2.22, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[[5-fluoro-6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]amino]-N-methyl-5-oxopentanamide is sourced from PubChem (CID 177356048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).