N-(3-cyanothiophen-2-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide

C19H19N3O2S — CID 42957616

IUPACN-(3-cyanothiophen-2-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C(=O)Nc3sccc3C#N)C2)cc1
InChIInChI=1S/C19H19N3O2S/c1-13-4-6-14(7-5-13)19(24)22-9-2-3-16(12-22)17(23)21-18-15(11-20)8-10-25-18/h4-8,10,16H,2-3,9,12H2,1H3,(H,21,23)
InChIKeyJTMQRHFYBFYNSF-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.42
Rot. Bonds3

About N-(3-cyanothiophen-2-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide

N-(3-cyanothiophen-2-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide (PubChem CID 42957616) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
PubChem CID42957616
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-(3-cyanothiophen-2-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C(=O)Nc3sccc3C#N)C2)cc1
InChIInChI=1S/C19H19N3O2S/c1-13-4-6-14(7-5-13)19(24)22-9-2-3-16(12-22)17(23)21-18-15(11-20)8-10-25-18/h4-8,10,16H,2-3,9,12H2,1H3,(H,21,23)
InChIKeyJTMQRHFYBFYNSF-UHFFFAOYSA-N
XLogP3.42
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-iodophenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55624039
N-[4-(carbamoylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55627027
N-(4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55623806
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
methyl (3S)-1-(4-methylbenzoyl)piperidine-3-carboxylate
CID 78919310
1-(4-cyanobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 46657993
2-[2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
CID 119218307
1-[2-(4-methylphenyl)-2-oxoacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 51125247
ethyl 1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 4832658
N-[4-(dimethylamino)-3-methylphenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55652132
1-(4-chlorobenzoyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-3-carboxamide
CID 4202434
N-(1-amino-2-methylpropan-2-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 119524399

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide (CID 42957616) is N-(3-cyanothiophen-2-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide is Cc1ccc(C(=O)N2CCCC(C(=O)Nc3sccc3C#N)C2)cc1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The InChIKey is JTMQRHFYBFYNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-13-4-6-14(7-5-13)19(24)22-9-2-3-16(12-22)17(23)21-18-15(11-20)8-10-25-18/h4-8,10,16H,2-3,9,12H2,1H3,(H,21,23).
What are the key properties of N-(3-cyanothiophen-2-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide?
N-(3-cyanothiophen-2-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 42957616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).