(3S)-1-(4-ethyl-5-methylthiophene-2-carbonyl)-N-phenylpiperidine-3-carboxamide

C20H24N2O2S — CID 34324943

IUPAC(3S)-1-(4-ethyl-5-methylthiophene-2-carbonyl)-N-phenylpiperidine-3-carboxamide
SMILESCCc1cc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)sc1C
InChIInChI=1S/C20H24N2O2S/c1-3-15-12-18(25-14(15)2)20(24)22-11-7-8-16(13-22)19(23)21-17-9-5-4-6-10-17/h4-6,9-10,12,16H,3,7-8,11,13H2,1-2H3,(H,21,23)/t16-/m0/s1
InChIKeyYZDSKXIORDFWLZ-INIZCTEOSA-N
MW356.49 g/mol
LogP4.11
Rot. Bonds4

About (3S)-1-(4-ethyl-5-methylthiophene-2-carbonyl)-N-phenylpiperidine-3-carboxamide

(3S)-1-(4-ethyl-5-methylthiophene-2-carbonyl)-N-phenylpiperidine-3-carboxamide (PubChem CID 34324943) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is (3S)-1-(4-ethyl-5-methylthiophene-2-carbonyl)-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-ethyl-5-methylthiophene-2-carbonyl)-N-phenylpiperidine-3-carboxamide
PubChem CID34324943
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name(3S)-1-(4-ethyl-5-methylthiophene-2-carbonyl)-N-phenylpiperidine-3-carboxamide
SMILESCCc1cc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)sc1C
InChIInChI=1S/C20H24N2O2S/c1-3-15-12-18(25-14(15)2)20(24)22-11-7-8-16(13-22)19(23)21-17-9-5-4-6-10-17/h4-6,9-10,12,16H,3,7-8,11,13H2,1-2H3,(H,21,23)/t16-/m0/s1
InChIKeyYZDSKXIORDFWLZ-INIZCTEOSA-N
XLogP4.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidine-3-carboxylate
CID 78919176
azepan-1-yl-(4-ethyl-5-methylthiophen-2-yl)methanone
CID 60634850
(3S)-1-(4-ethyl-5-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917459
1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17395315
2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-3-yl]acetic acid
CID 62689218
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
1-(3-methylfuran-2-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 43035253
1-(6-methylpyridine-3-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 18149048
3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42928143
1-(3,5-dimethylbenzoyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 46489523
(3S)-N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 94082527
1-N-phenyl-3-N-(4-propylphenyl)piperidine-1,3-dicarboxamide
CID 24503682

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-ethyl-5-methylthiophene-2-carbonyl)-N-phenylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-ethyl-5-methylthiophene-2-carbonyl)-N-phenylpiperidine-3-carboxamide (CID 34324943) is (3S)-1-(4-ethyl-5-methylthiophene-2-carbonyl)-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-ethyl-5-methylthiophene-2-carbonyl)-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-ethyl-5-methylthiophene-2-carbonyl)-N-phenylpiperidine-3-carboxamide is CCc1cc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)sc1C.
What is the InChIKey of (3S)-1-(4-ethyl-5-methylthiophene-2-carbonyl)-N-phenylpiperidine-3-carboxamide?
The InChIKey is YZDSKXIORDFWLZ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-3-15-12-18(25-14(15)2)20(24)22-11-7-8-16(13-22)19(23)21-17-9-5-4-6-10-17/h4-6,9-10,12,16H,3,7-8,11,13H2,1-2H3,(H,21,23)/t16-/m0/s1.
What are the key properties of (3S)-1-(4-ethyl-5-methylthiophene-2-carbonyl)-N-phenylpiperidine-3-carboxamide?
(3S)-1-(4-ethyl-5-methylthiophene-2-carbonyl)-N-phenylpiperidine-3-carboxamide has a molecular weight of 356.49 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-ethyl-5-methylthiophene-2-carbonyl)-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 34324943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).