(3R,6R)-6-methyl-1-(4-phenylthiophene-2-carbonyl)piperidine-3-carboxamide

C18H20N2O2S — CID 94666110

IUPAC(3R,6R)-6-methyl-1-(4-phenylthiophene-2-carbonyl)piperidine-3-carboxamide
SMILESC[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cc(-c2ccccc2)cs1
InChIInChI=1S/C18H20N2O2S/c1-12-7-8-14(17(19)21)10-20(12)18(22)16-9-15(11-23-16)13-5-3-2-4-6-13/h2-6,9,11-12,14H,7-8,10H2,1H3,(H2,19,21)/t12-,14-/m1/s1
InChIKeyVNHVKZZWUNZFQT-TZMCWYRMSA-N
MW328.44 g/mol
LogP3.14
Rot. Bonds3

About (3R,6R)-6-methyl-1-(4-phenylthiophene-2-carbonyl)piperidine-3-carboxamide

(3R,6R)-6-methyl-1-(4-phenylthiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 94666110) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is (3R,6R)-6-methyl-1-(4-phenylthiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,6R)-6-methyl-1-(4-phenylthiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID94666110
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name(3R,6R)-6-methyl-1-(4-phenylthiophene-2-carbonyl)piperidine-3-carboxamide
SMILESC[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cc(-c2ccccc2)cs1
InChIInChI=1S/C18H20N2O2S/c1-12-7-8-14(17(19)21)10-20(12)18(22)16-9-15(11-23-16)13-5-3-2-4-6-13/h2-6,9,11-12,14H,7-8,10H2,1H3,(H2,19,21)/t12-,14-/m1/s1
InChIKeyVNHVKZZWUNZFQT-TZMCWYRMSA-N
XLogP3.14
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,6R)-6-methyl-1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-3-carboxamide
CID 95585010
(3S,6R)-1-(5-bromothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide
CID 93380872
(3R,6R)-1-[(2S,3S)-3-amino-2-methyl-3-phenylpropanoyl]-6-methylpiperidine-3-carboxamide
CID 124598327
(3R,6S)-1-[(2S,3S)-3-amino-2-methyl-3-phenylpropanoyl]-6-methylpiperidine-3-carboxamide
CID 124598329
(3R,6S)-6-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidine-3-carboxamide
CID 95138846
(3R,6S)-6-methyl-1-(5-methyl-1-phenyltriazole-4-carbonyl)piperidine-3-carboxamide
CID 95584926
(3R,6S)-1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]-6-methylpiperidine-3-carboxamide
CID 95584881
(3S,6R)-1-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]-6-methylpiperidine-3-carboxamide
CID 95583565
1-(4-phenylthiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 45341237
1-(2-amino-1,3-thiazole-4-carbonyl)-6-methylpiperidine-3-carboxamide
CID 55116395
(3S,6R)-1-(3-bromothiophene-2-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95584966
4-(5-carbamoyl-2-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 115730234

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-6-methyl-1-(4-phenylthiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R,6R)-6-methyl-1-(4-phenylthiophene-2-carbonyl)piperidine-3-carboxamide (CID 94666110) is (3R,6R)-6-methyl-1-(4-phenylthiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,6R)-6-methyl-1-(4-phenylthiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,6R)-6-methyl-1-(4-phenylthiophene-2-carbonyl)piperidine-3-carboxamide is C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cc(-c2ccccc2)cs1.
What is the InChIKey of (3R,6R)-6-methyl-1-(4-phenylthiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is VNHVKZZWUNZFQT-TZMCWYRMSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-12-7-8-14(17(19)21)10-20(12)18(22)16-9-15(11-23-16)13-5-3-2-4-6-13/h2-6,9,11-12,14H,7-8,10H2,1H3,(H2,19,21)/t12-,14-/m1/s1.
What are the key properties of (3R,6R)-6-methyl-1-(4-phenylthiophene-2-carbonyl)piperidine-3-carboxamide?
(3R,6R)-6-methyl-1-(4-phenylthiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-6-methyl-1-(4-phenylthiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 94666110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).