N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-thiophen-2-ylpropanamide

C20H25FN2O2S — CID 55957230

IUPACN-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-thiophen-2-ylpropanamide
SMILESCOc1ccc(CN2CCC(NC(=O)CCc3cccs3)CC2)cc1F
InChIInChI=1S/C20H25FN2O2S/c1-25-19-6-4-15(13-18(19)21)14-23-10-8-16(9-11-23)22-20(24)7-5-17-3-2-12-26-17/h2-4,6,12-13,16H,5,7-11,14H2,1H3,(H,22,24)
InChIKeyHJGRJFQNMMGGAK-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.61
Rot. Bonds7

About N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-thiophen-2-ylpropanamide

N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-thiophen-2-ylpropanamide (PubChem CID 55957230) has the molecular formula C20H25FN2O2S and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-thiophen-2-ylpropanamide
PubChem CID55957230
Molecular FormulaC20H25FN2O2S
Molecular Weight376.50 g/mol
Exact Mass376.16
IUPAC NameN-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-thiophen-2-ylpropanamide
SMILESCOc1ccc(CN2CCC(NC(=O)CCc3cccs3)CC2)cc1F
InChIInChI=1S/C20H25FN2O2S/c1-25-19-6-4-15(13-18(19)21)14-23-10-8-16(9-11-23)22-20(24)7-5-17-3-2-12-26-17/h2-4,6,12-13,16H,5,7-11,14H2,1H3,(H,22,24)
InChIKeyHJGRJFQNMMGGAK-UHFFFAOYSA-N
XLogP3.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55957237
methyl 4-(3-thiophen-2-ylpropanoylamino)piperidine-1-carboxylate
CID 110821759
benzyl N-[4-[[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]amino]-4-oxobutyl]carbamate
CID 55958908
N-(1-propan-2-ylpiperidin-4-yl)-3-thiophen-2-ylpropanamide
CID 110751959
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 55958004
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2,3-dimethylbenzamide
CID 55957612
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-thiophen-2-ylpropanamide
CID 134047770
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 75404732
2-(5-bromo-2-oxo-1-pyridinyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 55957752
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-(4-phenylbutan-2-yl)urea
CID 55909734
4-ethoxy-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 55959016
4-(dimethylamino)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55957357

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-thiophen-2-ylpropanamide (CID 55957230) is N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-thiophen-2-ylpropanamide is COc1ccc(CN2CCC(NC(=O)CCc3cccs3)CC2)cc1F.
What is the InChIKey of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-thiophen-2-ylpropanamide?
The InChIKey is HJGRJFQNMMGGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2S/c1-25-19-6-4-15(13-18(19)21)14-23-10-8-16(9-11-23)22-20(24)7-5-17-3-2-12-26-17/h2-4,6,12-13,16H,5,7-11,14H2,1H3,(H,22,24).
What are the key properties of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-thiophen-2-ylpropanamide?
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-thiophen-2-ylpropanamide has a molecular weight of 376.50 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 55957230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).