N-benzyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methylcarbamoylamino]-N-methylpropanamide

C24H31FN4O3 — CID 86880649

IUPACN-benzyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methylcarbamoylamino]-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1
InChIInChI=1S/C24H31FN4O3/c1-28(17-18-5-3-2-4-6-18)23(31)9-12-26-24(32)27-16-19-7-8-22(21(25)15-19)29-13-10-20(30)11-14-29/h2-8,15,20,30H,9-14,16-17H2,1H3,(H2,26,27,32)
InChIKeyNPUCNGGHONJNAT-UHFFFAOYSA-N
MW442.54 g/mol
LogP2.63
Rot. Bonds8

About N-benzyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methylcarbamoylamino]-N-methylpropanamide

N-benzyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methylcarbamoylamino]-N-methylpropanamide (PubChem CID 86880649) has the molecular formula C24H31FN4O3 and a molecular weight of 442.54 g/mol. Its IUPAC name is N-benzyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methylcarbamoylamino]-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methylcarbamoylamino]-N-methylpropanamide
PubChem CID86880649
Molecular FormulaC24H31FN4O3
Molecular Weight442.54 g/mol
Exact Mass442.24
IUPAC NameN-benzyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methylcarbamoylamino]-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1
InChIInChI=1S/C24H31FN4O3/c1-28(17-18-5-3-2-4-6-18)23(31)9-12-26-24(32)27-16-19-7-8-22(21(25)15-19)29-13-10-20(30)11-14-29/h2-8,15,20,30H,9-14,16-17H2,1H3,(H2,26,27,32)
InChIKeyNPUCNGGHONJNAT-UHFFFAOYSA-N
XLogP2.63
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]urea
CID 110900135
1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-pent-3-enylurea
CID 111336700
1-ethyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-methylurea
CID 110922120
3-benzyl-2-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1,1-dimethylguanidine
CID 111068451
1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(2-methylcyclopropyl)urea
CID 110929833
N-benzyl-3-[(3-fluoro-4-pyridin-3-yloxyphenyl)methylcarbamoylamino]-N-methylpropanamide
CID 86880926
1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(1-methylcyclobutyl)urea
CID 109397854
N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 110904323
2-anilino-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]benzamide
CID 60579710
N-benzyl-3-[[N-[(3-fluoro-4-methylphenyl)methyl]-N'-methylcarbamimidoyl]amino]-N-methylpropanamide;hydroiodide
CID 111846788
N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-4-phenyl-1,4-diazepane-1-carboxamide
CID 91641732
N-benzyl-3-(2-cyclohexylethylcarbamoylamino)-N-methylpropanamide
CID 86879903

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methylcarbamoylamino]-N-methylpropanamide?
The IUPAC name of N-benzyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methylcarbamoylamino]-N-methylpropanamide (CID 86880649) is N-benzyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methylcarbamoylamino]-N-methylpropanamide.
What is the SMILES notation for N-benzyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methylcarbamoylamino]-N-methylpropanamide?
The canonical SMILES for N-benzyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methylcarbamoylamino]-N-methylpropanamide is CN(Cc1ccccc1)C(=O)CCNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1.
What is the InChIKey of N-benzyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methylcarbamoylamino]-N-methylpropanamide?
The InChIKey is NPUCNGGHONJNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O3/c1-28(17-18-5-3-2-4-6-18)23(31)9-12-26-24(32)27-16-19-7-8-22(21(25)15-19)29-13-10-20(30)11-14-29/h2-8,15,20,30H,9-14,16-17H2,1H3,(H2,26,27,32).
What are the key properties of N-benzyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methylcarbamoylamino]-N-methylpropanamide?
N-benzyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methylcarbamoylamino]-N-methylpropanamide has a molecular weight of 442.54 g/mol, XLogP of 2.63, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methylcarbamoylamino]-N-methylpropanamide is sourced from PubChem (CID 86880649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).