N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide

C20H24N6OS — CID 55779864

IUPACN-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESCC1CCCN(Cc2ccccc2CNC(=O)c2sccc2-n2cnnn2)C1
InChIInChI=1S/C20H24N6OS/c1-15-5-4-9-25(12-15)13-17-7-3-2-6-16(17)11-21-20(27)19-18(8-10-28-19)26-14-22-23-24-26/h2-3,6-8,10,14-15H,4-5,9,11-13H2,1H3,(H,21,27)
InChIKeyIYUMFCNBOAQKNZ-UHFFFAOYSA-N
MW396.52 g/mol
LogP2.89
Rot. Bonds6

About N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide

N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide (PubChem CID 55779864) has the molecular formula C20H24N6OS and a molecular weight of 396.52 g/mol. Its IUPAC name is N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
PubChem CID55779864
Molecular FormulaC20H24N6OS
Molecular Weight396.52 g/mol
Exact Mass396.17
IUPAC NameN-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESCC1CCCN(Cc2ccccc2CNC(=O)c2sccc2-n2cnnn2)C1
InChIInChI=1S/C20H24N6OS/c1-15-5-4-9-25(12-15)13-17-7-3-2-6-16(17)11-21-20(27)19-18(8-10-28-19)26-14-22-23-24-26/h2-3,6-8,10,14-15H,4-5,9,11-13H2,1H3,(H,21,27)
InChIKeyIYUMFCNBOAQKNZ-UHFFFAOYSA-N
XLogP2.89
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzene-1,4-dicarboxamide
CID 60556119
3-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 119845555
4-bromo-5-methyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 55885078
2-ethylsulfonyl-N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]benzamide
CID 52610752
2,5-dichloro-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]thiophene-3-carboxamide
CID 55718125
N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-(methylsulfonylmethyl)benzamide
CID 51947396
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60525736
2,4-dimethyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 55714039
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 86944950
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 55714231
2-(4-acetamidophenyl)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 51947424
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 55972123

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide (CID 55779864) is N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide is CC1CCCN(Cc2ccccc2CNC(=O)c2sccc2-n2cnnn2)C1.
What is the InChIKey of N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The InChIKey is IYUMFCNBOAQKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6OS/c1-15-5-4-9-25(12-15)13-17-7-3-2-6-16(17)11-21-20(27)19-18(8-10-28-19)26-14-22-23-24-26/h2-3,6-8,10,14-15H,4-5,9,11-13H2,1H3,(H,21,27).
What are the key properties of N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide?
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide has a molecular weight of 396.52 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 55779864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).