N-[2-[4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidin-1-yl]ethyl]-N,4-dimethylbenzamide

C28H31FN2OS — CID 22622593

IUPACN-[2-[4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidin-1-yl]ethyl]-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)CCN2CCC(=C(c3ccc(F)cc3)c3cc(C)cs3)CC2)cc1
InChIInChI=1S/C28H31FN2OS/c1-20-4-6-24(7-5-20)28(32)30(3)16-17-31-14-12-23(13-15-31)27(26-18-21(2)19-33-26)22-8-10-25(29)11-9-22/h4-11,18-19H,12-17H2,1-3H3
InChIKeyRGUOEVJPSWGYCY-UHFFFAOYSA-N
MW462.63 g/mol
LogP6.17
Rot. Bonds6

About N-[2-[4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidin-1-yl]ethyl]-N,4-dimethylbenzamide

N-[2-[4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidin-1-yl]ethyl]-N,4-dimethylbenzamide (PubChem CID 22622593) has the molecular formula C28H31FN2OS and a molecular weight of 462.63 g/mol. Its IUPAC name is N-[2-[4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidin-1-yl]ethyl]-N,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidin-1-yl]ethyl]-N,4-dimethylbenzamide
PubChem CID22622593
Molecular FormulaC28H31FN2OS
Molecular Weight462.63 g/mol
Exact Mass462.21
IUPAC NameN-[2-[4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidin-1-yl]ethyl]-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)CCN2CCC(=C(c3ccc(F)cc3)c3cc(C)cs3)CC2)cc1
InChIInChI=1S/C28H31FN2OS/c1-20-4-6-24(7-5-20)28(32)30(3)16-17-31-14-12-23(13-15-31)27(26-18-21(2)19-33-26)22-8-10-25(29)11-9-22/h4-11,18-19H,12-17H2,1-3H3
InChIKeyRGUOEVJPSWGYCY-UHFFFAOYSA-N
XLogP6.17
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.63
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidin-1-yl]butan-1-amine
CID 22622561
N-methyl-4-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 131950645
N-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]benzamide
CID 10598845
4-fluoro-N-methyl-N-propylbenzamide
CID 60928889
4-[4-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]butyl]-7-methyl-2,3-dihydrothieno[3,2-f][1,4]thiazepin-5-one
CID 19881077
4-[(4-fluorophenyl)-phenylmethylidene]-1-propylpiperidine
CID 123768930
N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265460
N,N-diethyl-4-[(3-fluorophenyl)-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]methyl]benzamide
CID 57392492
4-(4-fluorophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)-1-benzothiophene-2-carboxamide
CID 142725182
4-[bis(4-methylphenyl)methylidene]-1-(3-chloropropyl)piperidine
CID 21478599
4-[methyl-(4-methylthiophene-2-carbonyl)amino]butanoic acid
CID 110836782
6-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyridin-5-one
CID 58060679

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidin-1-yl]ethyl]-N,4-dimethylbenzamide?
The IUPAC name of N-[2-[4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidin-1-yl]ethyl]-N,4-dimethylbenzamide (CID 22622593) is N-[2-[4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidin-1-yl]ethyl]-N,4-dimethylbenzamide.
What is the SMILES notation for N-[2-[4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidin-1-yl]ethyl]-N,4-dimethylbenzamide?
The canonical SMILES for N-[2-[4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidin-1-yl]ethyl]-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)CCN2CCC(=C(c3ccc(F)cc3)c3cc(C)cs3)CC2)cc1.
What is the InChIKey of N-[2-[4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidin-1-yl]ethyl]-N,4-dimethylbenzamide?
The InChIKey is RGUOEVJPSWGYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN2OS/c1-20-4-6-24(7-5-20)28(32)30(3)16-17-31-14-12-23(13-15-31)27(26-18-21(2)19-33-26)22-8-10-25(29)11-9-22/h4-11,18-19H,12-17H2,1-3H3.
What are the key properties of N-[2-[4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidin-1-yl]ethyl]-N,4-dimethylbenzamide?
N-[2-[4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidin-1-yl]ethyl]-N,4-dimethylbenzamide has a molecular weight of 462.63 g/mol, XLogP of 6.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidin-1-yl]ethyl]-N,4-dimethylbenzamide is sourced from PubChem (CID 22622593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).