N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-methylindol-6-yl]-3-hydroxypropanamide

C25H30FN3O2 — CID 174391488

IUPACN-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-methylindol-6-yl]-3-hydroxypropanamide
SMILESCc1cn(C2CCN(CCc3ccc(F)cc3)CC2)c2cc(NC(=O)CCO)ccc12
InChIInChI=1S/C25H30FN3O2/c1-18-17-29(24-16-21(6-7-23(18)24)27-25(31)11-15-30)22-9-13-28(14-10-22)12-8-19-2-4-20(26)5-3-19/h2-7,16-17,22,30H,8-15H2,1H3,(H,27,31)
InChIKeyRBCSUSSROYEZGL-UHFFFAOYSA-N
MW423.53 g/mol
LogP4.29
Rot. Bonds7

About N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-methylindol-6-yl]-3-hydroxypropanamide

N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-methylindol-6-yl]-3-hydroxypropanamide (PubChem CID 174391488) has the molecular formula C25H30FN3O2 and a molecular weight of 423.53 g/mol. Its IUPAC name is N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-methylindol-6-yl]-3-hydroxypropanamide.

Molecular Properties

Compound NameN-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-methylindol-6-yl]-3-hydroxypropanamide
PubChem CID174391488
Molecular FormulaC25H30FN3O2
Molecular Weight423.53 g/mol
Exact Mass423.23
IUPAC NameN-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-methylindol-6-yl]-3-hydroxypropanamide
SMILESCc1cn(C2CCN(CCc3ccc(F)cc3)CC2)c2cc(NC(=O)CCO)ccc12
InChIInChI=1S/C25H30FN3O2/c1-18-17-29(24-16-21(6-7-23(18)24)27-25(31)11-15-30)22-9-13-28(14-10-22)12-8-19-2-4-20(26)5-3-19/h2-7,16-17,22,30H,8-15H2,1H3,(H,27,31)
InChIKeyRBCSUSSROYEZGL-UHFFFAOYSA-N
XLogP4.29
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-methylindol-6-yl]-2-piperidin-1-ylacetamide
CID 175234272
N-[3-cyano-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methylindol-6-yl]acetamide
CID 22037937
bis[6-[2-(dimethylamino)-2-oxoethyl]-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-3-yl] oxalate
CID 87903485
bis[6-[2-[(1-ethylpiperidin-4-yl)methylamino]-2-oxoethyl]-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-3-yl] oxalate
CID 87903484
N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]butanamide
CID 22037940
3-(dimethylamino)-N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide
CID 23377466
bis[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-6-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]indol-3-yl] oxalate
CID 87903482
N-(4-fluorophenyl)-3-hydroxypropanamide
CID 12748696
2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-methoxyethyl)acetamide
CID 22038327
N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyimino-2-methyl-2H-indol-6-yl]acetamide
CID 87903544
N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methyl]butanamide
CID 22038292
N'-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanediamide
CID 108760674

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-methylindol-6-yl]-3-hydroxypropanamide?
The IUPAC name of N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-methylindol-6-yl]-3-hydroxypropanamide (CID 174391488) is N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-methylindol-6-yl]-3-hydroxypropanamide.
What is the SMILES notation for N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-methylindol-6-yl]-3-hydroxypropanamide?
The canonical SMILES for N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-methylindol-6-yl]-3-hydroxypropanamide is Cc1cn(C2CCN(CCc3ccc(F)cc3)CC2)c2cc(NC(=O)CCO)ccc12.
What is the InChIKey of N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-methylindol-6-yl]-3-hydroxypropanamide?
The InChIKey is RBCSUSSROYEZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O2/c1-18-17-29(24-16-21(6-7-23(18)24)27-25(31)11-15-30)22-9-13-28(14-10-22)12-8-19-2-4-20(26)5-3-19/h2-7,16-17,22,30H,8-15H2,1H3,(H,27,31).
What are the key properties of N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-methylindol-6-yl]-3-hydroxypropanamide?
N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-methylindol-6-yl]-3-hydroxypropanamide has a molecular weight of 423.53 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-methylindol-6-yl]-3-hydroxypropanamide is sourced from PubChem (CID 174391488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).