N-[4,5-dimethyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]benzamide

C19H24N2OS — CID 5158950

IUPACN-[4,5-dimethyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]benzamide
SMILESCc1sc(NC(=O)c2ccccc2)c(CN2CCCCC2)c1C
InChIInChI=1S/C19H24N2OS/c1-14-15(2)23-19(17(14)13-21-11-7-4-8-12-21)20-18(22)16-9-5-3-6-10-16/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3,(H,20,22)
InChIKeyIZGAOSRJAJPUIV-UHFFFAOYSA-N
MW328.48 g/mol
LogP4.60
Rot. Bonds4

About N-[4,5-dimethyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]benzamide

N-[4,5-dimethyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]benzamide (PubChem CID 5158950) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is N-[4,5-dimethyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]benzamide.

Molecular Properties

Compound NameN-[4,5-dimethyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]benzamide
PubChem CID5158950
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC NameN-[4,5-dimethyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]benzamide
SMILESCc1sc(NC(=O)c2ccccc2)c(CN2CCCCC2)c1C
InChIInChI=1S/C19H24N2OS/c1-14-15(2)23-19(17(14)13-21-11-7-4-8-12-21)20-18(22)16-9-5-3-6-10-16/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3,(H,20,22)
InChIKeyIZGAOSRJAJPUIV-UHFFFAOYSA-N
XLogP4.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(4-benzylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 1034327
N-[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 7124138
N-[3-[(dimethylamino)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 833808
N-[3-[(4-ethylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]thiophene-2-carboxamide
CID 46740474
N-[3-[(2-chlorophenyl)-piperidin-1-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 5236795
N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]benzamide
CID 571260
4-methoxy-N-[3-(pyrrolidin-1-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide
CID 171977630
N-[4,5-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]thiophen-2-yl]acetamide
CID 9120728
N-[3-[(4-chlorophenyl)-pyrrolidin-1-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 4672995
N-[4,5-dimethyl-3-(morpholine-4-carbonyl)thiophen-2-yl]benzamide
CID 833851
N-[4,5-dimethyl-3-(piperazine-1-carbonyl)thiophen-2-yl]benzamide
CID 39161677
N-[4,5-dimethyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 3320528

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]benzamide?
The IUPAC name of N-[4,5-dimethyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]benzamide (CID 5158950) is N-[4,5-dimethyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]benzamide.
What is the SMILES notation for N-[4,5-dimethyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]benzamide?
The canonical SMILES for N-[4,5-dimethyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]benzamide is Cc1sc(NC(=O)c2ccccc2)c(CN2CCCCC2)c1C.
What is the InChIKey of N-[4,5-dimethyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]benzamide?
The InChIKey is IZGAOSRJAJPUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-14-15(2)23-19(17(14)13-21-11-7-4-8-12-21)20-18(22)16-9-5-3-6-10-16/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3,(H,20,22).
What are the key properties of N-[4,5-dimethyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]benzamide?
N-[4,5-dimethyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]benzamide has a molecular weight of 328.48 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]benzamide is sourced from PubChem (CID 5158950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).