N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(2H-tetrazol-5-yl)benzamide

C20H24N6OS — CID 167959073

IUPACN-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(2H-tetrazol-5-yl)benzamide
SMILESCC1CCN(C(CNC(=O)c2cccc(-c3nn[nH]n3)c2)c2cccs2)CC1
InChIInChI=1S/C20H24N6OS/c1-14-7-9-26(10-8-14)17(18-6-3-11-28-18)13-21-20(27)16-5-2-4-15(12-16)19-22-24-25-23-19/h2-6,11-12,14,17H,7-10,13H2,1H3,(H,21,27)(H,22,23,24,25)
InChIKeyHMZOKGMVRVGLKE-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.13
Rot. Bonds6

About N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(2H-tetrazol-5-yl)benzamide

N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(2H-tetrazol-5-yl)benzamide (PubChem CID 167959073) has the molecular formula C20H24N6OS and a molecular weight of 396.52 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(2H-tetrazol-5-yl)benzamide
PubChem CID167959073
Molecular FormulaC20H24N6OS
Molecular Weight396.52 g/mol
Exact Mass396.17
IUPAC NameN-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(2H-tetrazol-5-yl)benzamide
SMILESCC1CCN(C(CNC(=O)c2cccc(-c3nn[nH]n3)c2)c2cccs2)CC1
InChIInChI=1S/C20H24N6OS/c1-14-7-9-26(10-8-14)17(18-6-3-11-28-18)13-21-20(27)16-5-2-4-15(12-16)19-22-24-25-23-19/h2-6,11-12,14,17H,7-10,13H2,1H3,(H,21,27)(H,22,23,24,25)
InChIKeyHMZOKGMVRVGLKE-UHFFFAOYSA-N
XLogP3.13
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 119830765
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006371
2,3-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide
CID 42922665
N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(tetrazol-1-yl)benzamide
CID 51969392
4-methoxy-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35577491
3-hydroxy-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-4-nitrobenzamide
CID 24639919
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyridine-2-carboxamide
CID 43006358
4-chloro-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-nitrobenzamide
CID 8781620
1-acetyl-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2,3-dihydroindole-5-carboxamide
CID 30523873
3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17012410
N-[4-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide
CID 46522585
3-methyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17011590

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(2H-tetrazol-5-yl)benzamide (CID 167959073) is N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(2H-tetrazol-5-yl)benzamide is CC1CCN(C(CNC(=O)c2cccc(-c3nn[nH]n3)c2)c2cccs2)CC1.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(2H-tetrazol-5-yl)benzamide?
The InChIKey is HMZOKGMVRVGLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6OS/c1-14-7-9-26(10-8-14)17(18-6-3-11-28-18)13-21-20(27)16-5-2-4-15(12-16)19-22-24-25-23-19/h2-6,11-12,14,17H,7-10,13H2,1H3,(H,21,27)(H,22,23,24,25).
What are the key properties of N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(2H-tetrazol-5-yl)benzamide?
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(2H-tetrazol-5-yl)benzamide has a molecular weight of 396.52 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 167959073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).