N-[3-[(R)-(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]benzamide

C26H29FN2OS — CID 2061222

IUPACN-[3-[(R)-(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]benzamide
SMILESCc1sc(NC(=O)c2ccccc2)c([C@@H](c2cccc(F)c2)N2CCC(C)CC2)c1C
InChIInChI=1S/C26H29FN2OS/c1-17-12-14-29(15-13-17)24(21-10-7-11-22(27)16-21)23-18(2)19(3)31-26(23)28-25(30)20-8-5-4-6-9-20/h4-11,16-17,24H,12-15H2,1-3H3,(H,28,30)/t24-/m1/s1
InChIKeyWRJCAZWZHRAVKZ-XMMPIXPASA-N
MW436.60 g/mol
LogP6.58
Rot. Bonds5

About N-[3-[(R)-(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]benzamide

N-[3-[(R)-(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]benzamide (PubChem CID 2061222) has the molecular formula C26H29FN2OS and a molecular weight of 436.60 g/mol. Its IUPAC name is N-[3-[(R)-(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-[(R)-(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]benzamide
PubChem CID2061222
Molecular FormulaC26H29FN2OS
Molecular Weight436.60 g/mol
Exact Mass436.20
IUPAC NameN-[3-[(R)-(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]benzamide
SMILESCc1sc(NC(=O)c2ccccc2)c([C@@H](c2cccc(F)c2)N2CCC(C)CC2)c1C
InChIInChI=1S/C26H29FN2OS/c1-17-12-14-29(15-13-17)24(21-10-7-11-22(27)16-21)23-18(2)19(3)31-26(23)28-25(30)20-8-5-4-6-9-20/h4-11,16-17,24H,12-15H2,1-3H3,(H,28,30)/t24-/m1/s1
InChIKeyWRJCAZWZHRAVKZ-XMMPIXPASA-N
XLogP6.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 5097694
N-[4,5-dimethyl-3-[(S)-(4-methylpiperidin-1-yl)-(4-methylsulfanylphenyl)methyl]thiophen-2-yl]benzamide
CID 2061143
N-[4,5-dimethyl-3-[(4-methylpiperidin-1-yl)-(4-methylsulfanylphenyl)methyl]thiophen-2-yl]benzamide
CID 4671767
N-[3-[(4-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 4672992
N-[3-[(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 4673822
N-[3-[(4-benzylpiperidin-1-yl)-(4-fluorophenyl)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 4672709
N-[3-[(R)-(3-fluorophenyl)-pyrrolidin-1-ylmethyl]-4,5-dimethylthiophen-2-yl]thiophene-2-carboxamide
CID 93479779
N-[3-[(3-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]thiophene-2-carboxamide
CID 46740432
N-[2-[(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
CID 46270057
N-[3-[(4-chlorophenyl)-pyrrolidin-1-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 4672995
ethyl 1-[(2-benzamido-4,5-dimethylthiophen-3-yl)-pyridin-4-ylmethyl]piperidine-4-carboxylate
CID 4128132
N-[3-[(R)-(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 1416593

Frequently Asked Questions

What is the IUPAC name of N-[3-[(R)-(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]benzamide?
The IUPAC name of N-[3-[(R)-(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]benzamide (CID 2061222) is N-[3-[(R)-(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]benzamide.
What is the SMILES notation for N-[3-[(R)-(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]benzamide?
The canonical SMILES for N-[3-[(R)-(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]benzamide is Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2cccc(F)c2)N2CCC(C)CC2)c1C.
What is the InChIKey of N-[3-[(R)-(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]benzamide?
The InChIKey is WRJCAZWZHRAVKZ-XMMPIXPASA-N. The full InChI is InChI=1S/C26H29FN2OS/c1-17-12-14-29(15-13-17)24(21-10-7-11-22(27)16-21)23-18(2)19(3)31-26(23)28-25(30)20-8-5-4-6-9-20/h4-11,16-17,24H,12-15H2,1-3H3,(H,28,30)/t24-/m1/s1.
What are the key properties of N-[3-[(R)-(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]benzamide?
N-[3-[(R)-(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]benzamide has a molecular weight of 436.60 g/mol, XLogP of 6.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(R)-(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]benzamide is sourced from PubChem (CID 2061222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).