N'-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanediamide

C23H28FN3O2 — CID 108760674

IUPACN'-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanediamide
SMILESCC1CCN(Cc2ccc(NC(=O)CCC(=O)Nc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C23H28FN3O2/c1-17-12-14-27(15-13-17)16-18-2-6-20(7-3-18)25-22(28)10-11-23(29)26-21-8-4-19(24)5-9-21/h2-9,17H,10-16H2,1H3,(H,25,28)(H,26,29)
InChIKeyLDSGMTBCKAQWEZ-UHFFFAOYSA-N
MW397.49 g/mol
LogP4.41
Rot. Bonds7

About N'-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanediamide

N'-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanediamide (PubChem CID 108760674) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is N'-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanediamide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanediamide
PubChem CID108760674
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC NameN'-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanediamide
SMILESCC1CCN(Cc2ccc(NC(=O)CCC(=O)Nc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C23H28FN3O2/c1-17-12-14-27(15-13-17)16-18-2-6-20(7-3-18)25-22(28)10-11-23(29)26-21-8-4-19(24)5-9-21/h2-9,17H,10-16H2,1H3,(H,25,28)(H,26,29)
InChIKeyLDSGMTBCKAQWEZ-UHFFFAOYSA-N
XLogP4.41
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 120703837
N-(4-fluorophenyl)-N'-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanediamide
CID 108750827
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-phenoxypropanamide
CID 108737782
3-(2-chlorophenoxy)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 108811059
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45019225
4-(4-fluorophenyl)-4-oxo-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide
CID 108739319
N-(4-fluorophenyl)-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]acetamide
CID 2697800
3-(benzenesulfonamido)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 60517587
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 55845935
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-methylcyclohexyl)urea
CID 87034548
N-(4-ethylphenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195926
4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid
CID 46772046

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanediamide?
The IUPAC name of N'-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanediamide (CID 108760674) is N'-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanediamide.
What is the SMILES notation for N'-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanediamide?
The canonical SMILES for N'-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanediamide is CC1CCN(Cc2ccc(NC(=O)CCC(=O)Nc3ccc(F)cc3)cc2)CC1.
What is the InChIKey of N'-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanediamide?
The InChIKey is LDSGMTBCKAQWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-17-12-14-27(15-13-17)16-18-2-6-20(7-3-18)25-22(28)10-11-23(29)26-21-8-4-19(24)5-9-21/h2-9,17H,10-16H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N'-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanediamide?
N'-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanediamide has a molecular weight of 397.49 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanediamide is sourced from PubChem (CID 108760674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).