(2S,4S)-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide

C18H21N3O2S — CID 120619627

IUPAC(2S,4S)-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)Nc2cccc(NC(=O)c3cccs3)c2)CCN1
InChIInChI=1S/C18H21N3O2S/c1-12-10-13(7-8-19-12)17(22)20-14-4-2-5-15(11-14)21-18(23)16-6-3-9-24-16/h2-6,9,11-13,19H,7-8,10H2,1H3,(H,20,22)(H,21,23)/t12-,13-/m0/s1
InChIKeyCPUFFYNWKAKUOF-STQMWFEESA-N
MW343.45 g/mol
LogP3.33
Rot. Bonds4

About (2S,4S)-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide

(2S,4S)-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide (PubChem CID 120619627) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide
PubChem CID120619627
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name(2S,4S)-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)Nc2cccc(NC(=O)c3cccs3)c2)CCN1
InChIInChI=1S/C18H21N3O2S/c1-12-10-13(7-8-19-12)17(22)20-14-4-2-5-15(11-14)21-18(23)16-6-3-9-24-16/h2-6,9,11-13,19H,7-8,10H2,1H3,(H,20,22)(H,21,23)/t12-,13-/m0/s1
InChIKeyCPUFFYNWKAKUOF-STQMWFEESA-N
XLogP3.33
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(cyclobutanecarbonylamino)phenyl]thiophene-2-carboxamide
CID 31518537
(2S,4S)-N-(3-acetamidophenyl)-2-methylpiperidine-4-carboxamide
CID 120616198
(2S,4S)-N-(3-benzamidophenyl)-2-methylpiperidine-4-carboxamide
CID 120620603
(2S,4S)-2-methyl-N-(3-thiophen-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 120620482
(2S,4S)-N-(3-iodophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616575
1-(thiophene-2-carbonyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 31520919
N-[3-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride
CID 120984691
2-methyl-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide
CID 106738709
(2S,4S)-N-[3-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120631994
(2S,4S)-N-[3-(ethylcarbamoylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120626462
N-[3-(thiophene-2-carbonylamino)phenyl]morpholine-3-carboxamide
CID 119701038
(2S,4S)-N-[4-chloro-3-(phenylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120633632

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide (CID 120619627) is (2S,4S)-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)Nc2cccc(NC(=O)c3cccs3)c2)CCN1.
What is the InChIKey of (2S,4S)-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide?
The InChIKey is CPUFFYNWKAKUOF-STQMWFEESA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-12-10-13(7-8-19-12)17(22)20-14-4-2-5-15(11-14)21-18(23)16-6-3-9-24-16/h2-6,9,11-13,19H,7-8,10H2,1H3,(H,20,22)(H,21,23)/t12-,13-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 120619627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).