N-(1-benzylpiperidin-4-yl)-3-fluoro-N-[(3-methylthiophen-2-yl)methyl]benzamide

C25H27FN2OS — CID 42703324

IUPACN-(1-benzylpiperidin-4-yl)-3-fluoro-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCc1ccsc1CN(C(=O)c1cccc(F)c1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H27FN2OS/c1-19-12-15-30-24(19)18-28(25(29)21-8-5-9-22(26)16-21)23-10-13-27(14-11-23)17-20-6-3-2-4-7-20/h2-9,12,15-16,23H,10-11,13-14,17-18H2,1H3
InChIKeyYVAIBIAUQBOYQS-UHFFFAOYSA-N
MW422.57 g/mol
LogP5.50
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-3-fluoro-N-[(3-methylthiophen-2-yl)methyl]benzamide

N-(1-benzylpiperidin-4-yl)-3-fluoro-N-[(3-methylthiophen-2-yl)methyl]benzamide (PubChem CID 42703324) has the molecular formula C25H27FN2OS and a molecular weight of 422.57 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-fluoro-N-[(3-methylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-fluoro-N-[(3-methylthiophen-2-yl)methyl]benzamide
PubChem CID42703324
Molecular FormulaC25H27FN2OS
Molecular Weight422.57 g/mol
Exact Mass422.18
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-fluoro-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCc1ccsc1CN(C(=O)c1cccc(F)c1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H27FN2OS/c1-19-12-15-30-24(19)18-28(25(29)21-8-5-9-22(26)16-21)23-10-13-27(14-11-23)17-20-6-3-2-4-7-20/h2-9,12,15-16,23H,10-11,13-14,17-18H2,1H3
InChIKeyYVAIBIAUQBOYQS-UHFFFAOYSA-N
XLogP5.50
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-fluoro-N-propylbenzamide
CID 4166505
N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-fluoro-N-(2-methoxyethyl)benzamide
CID 3549449
N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-bromo-N-cyclohexylbenzamide
CID 3260131
1-(1-benzylpiperidin-4-yl)-3-(3-fluorophenyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42703390
N-(1-benzylpiperidin-4-yl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide
CID 55787262
N-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 46048008
N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-cyclohexyl-3-nitrobenzamide
CID 3323883
N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-nitrobenzamide
CID 1028621
N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide
CID 10230477
3-(4-benzylpiperazin-1-yl)sulfonyl-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 24819858
3-(4-benzylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-one
CID 10294335
N-[(4-aminophenyl)methyl]-N-cyclopropyl-3-fluorobenzamide
CID 43460553

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-fluoro-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-fluoro-N-[(3-methylthiophen-2-yl)methyl]benzamide (CID 42703324) is N-(1-benzylpiperidin-4-yl)-3-fluoro-N-[(3-methylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-fluoro-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-fluoro-N-[(3-methylthiophen-2-yl)methyl]benzamide is Cc1ccsc1CN(C(=O)c1cccc(F)c1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-fluoro-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The InChIKey is YVAIBIAUQBOYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2OS/c1-19-12-15-30-24(19)18-28(25(29)21-8-5-9-22(26)16-21)23-10-13-27(14-11-23)17-20-6-3-2-4-7-20/h2-9,12,15-16,23H,10-11,13-14,17-18H2,1H3.
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-fluoro-N-[(3-methylthiophen-2-yl)methyl]benzamide?
N-(1-benzylpiperidin-4-yl)-3-fluoro-N-[(3-methylthiophen-2-yl)methyl]benzamide has a molecular weight of 422.57 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-fluoro-N-[(3-methylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 42703324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).