N-(3-fluoro-4-methylphenyl)-2-methyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide

C21H27FN2OS — CID 42858124

IUPACN-(3-fluoro-4-methylphenyl)-2-methyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide
SMILESCc1ccc(N(C(=O)C(C)C)C2CCN(Cc3cccs3)CC2)cc1F
InChIInChI=1S/C21H27FN2OS/c1-15(2)21(25)24(18-7-6-16(3)20(22)13-18)17-8-10-23(11-9-17)14-19-5-4-12-26-19/h4-7,12-13,15,17H,8-11,14H2,1-3H3
InChIKeyYZPYKWHDPULPTR-UHFFFAOYSA-N
MW374.53 g/mol
LogP4.85
Rot. Bonds5

About N-(3-fluoro-4-methylphenyl)-2-methyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide

N-(3-fluoro-4-methylphenyl)-2-methyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide (PubChem CID 42858124) has the molecular formula C21H27FN2OS and a molecular weight of 374.53 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-methyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-methyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide
PubChem CID42858124
Molecular FormulaC21H27FN2OS
Molecular Weight374.53 g/mol
Exact Mass374.18
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-methyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide
SMILESCc1ccc(N(C(=O)C(C)C)C2CCN(Cc3cccs3)CC2)cc1F
InChIInChI=1S/C21H27FN2OS/c1-15(2)21(25)24(18-7-6-16(3)20(22)13-18)17-8-10-23(11-9-17)14-19-5-4-12-26-19/h4-7,12-13,15,17H,8-11,14H2,1-3H3
InChIKeyYZPYKWHDPULPTR-UHFFFAOYSA-N
XLogP4.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluoro-4-methylphenyl)-2-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]propanamide
CID 46054442
N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(3-fluoro-4-methylphenyl)-2-methylpropanamide
CID 42853448
4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzenesulfonamide
CID 46055339
N-(4-fluorophenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]furan-2-carboxamide
CID 42858050
N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)thiophene-2-carboxamide
CID 46048154
N-[(3-fluoro-4-methylphenyl)methyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 30645182
N-(3-fluoro-4-methylphenyl)-N-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-methylbenzamide
CID 46055125
N-(4-fluorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropanamide
CID 42853264
N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(3-fluoro-4-methylphenyl)butanamide
CID 42858130
5-propan-2-yl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 102602829
N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide
CID 23339066
N-(3,4-dimethoxyphenyl)-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-methylpropanamide
CID 42858172

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-methyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-methyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide (CID 42858124) is N-(3-fluoro-4-methylphenyl)-2-methyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-methyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-methyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide is Cc1ccc(N(C(=O)C(C)C)C2CCN(Cc3cccs3)CC2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-methyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide?
The InChIKey is YZPYKWHDPULPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2OS/c1-15(2)21(25)24(18-7-6-16(3)20(22)13-18)17-8-10-23(11-9-17)14-19-5-4-12-26-19/h4-7,12-13,15,17H,8-11,14H2,1-3H3.
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-methyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide?
N-(3-fluoro-4-methylphenyl)-2-methyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide has a molecular weight of 374.53 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-methyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 42858124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).