N-[(3-fluorophenyl)methyl]-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-methylpropanamide

C24H28FN3O — CID 42931732

IUPACN-[(3-fluorophenyl)methyl]-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-methylpropanamide
SMILESCC(C(=O)N(C)Cc1cccc(F)c1)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C24H28FN3O/c1-17(24(29)27(2)16-18-6-5-7-20(25)14-18)28-12-10-19(11-13-28)22-15-26-23-9-4-3-8-21(22)23/h3-9,14-15,17,19,26H,10-13,16H2,1-2H3
InChIKeyHMKJWWWCQMRAGT-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.53
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-methylpropanamide

N-[(3-fluorophenyl)methyl]-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-methylpropanamide (PubChem CID 42931732) has the molecular formula C24H28FN3O and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-methylpropanamide
PubChem CID42931732
Molecular FormulaC24H28FN3O
Molecular Weight393.51 g/mol
Exact Mass393.22
IUPAC NameN-[(3-fluorophenyl)methyl]-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-methylpropanamide
SMILESCC(C(=O)N(C)Cc1cccc(F)c1)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C24H28FN3O/c1-17(24(29)27(2)16-18-6-5-7-20(25)14-18)28-12-10-19(11-13-28)22-15-26-23-9-4-3-8-21(22)23/h3-9,14-15,17,19,26H,10-13,16H2,1-2H3
InChIKeyHMKJWWWCQMRAGT-UHFFFAOYSA-N
XLogP4.53
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluorophenyl)methyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpropanamide
CID 111332559
1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide
CID 24580188
N,N-diethyl-1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 86870583
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 46508539
N-[1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]piperidin-4-yl]-2-methylbenzamide
CID 55850902
N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 146122110
2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 87015655
N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 46662860
1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113087637
N-benzyl-N-methyl-2-(4-methylpiperidin-1-yl)propanamide
CID 134062840
2-(4-fluorophenyl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone
CID 84559815
(2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 8546713

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-methylpropanamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-methylpropanamide (CID 42931732) is N-[(3-fluorophenyl)methyl]-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-methylpropanamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-methylpropanamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-methylpropanamide is CC(C(=O)N(C)Cc1cccc(F)c1)N1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-methylpropanamide?
The InChIKey is HMKJWWWCQMRAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O/c1-17(24(29)27(2)16-18-6-5-7-20(25)14-18)28-12-10-19(11-13-28)22-15-26-23-9-4-3-8-21(22)23/h3-9,14-15,17,19,26H,10-13,16H2,1-2H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-methylpropanamide?
N-[(3-fluorophenyl)methyl]-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-methylpropanamide has a molecular weight of 393.51 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 42931732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).