(3R)-1-(2,2-dimethylpropanoyl)-N-(2-thiophen-2-ylphenyl)piperidine-3-carboxamide

C21H26N2O2S — CID 52514306

IUPAC(3R)-1-(2,2-dimethylpropanoyl)-N-(2-thiophen-2-ylphenyl)piperidine-3-carboxamide
SMILESCC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2-c2cccs2)C1
InChIInChI=1S/C21H26N2O2S/c1-21(2,3)20(25)23-12-6-8-15(14-23)19(24)22-17-10-5-4-9-16(17)18-11-7-13-26-18/h4-5,7,9-11,13,15H,6,8,12,14H2,1-3H3,(H,22,24)/t15-/m1/s1
InChIKeyAZNKDYMNJUHLEC-OAHLLOKOSA-N
MW370.52 g/mol
LogP4.64
Rot. Bonds3

About (3R)-1-(2,2-dimethylpropanoyl)-N-(2-thiophen-2-ylphenyl)piperidine-3-carboxamide

(3R)-1-(2,2-dimethylpropanoyl)-N-(2-thiophen-2-ylphenyl)piperidine-3-carboxamide (PubChem CID 52514306) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is (3R)-1-(2,2-dimethylpropanoyl)-N-(2-thiophen-2-ylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2,2-dimethylpropanoyl)-N-(2-thiophen-2-ylphenyl)piperidine-3-carboxamide
PubChem CID52514306
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name(3R)-1-(2,2-dimethylpropanoyl)-N-(2-thiophen-2-ylphenyl)piperidine-3-carboxamide
SMILESCC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2-c2cccs2)C1
InChIInChI=1S/C21H26N2O2S/c1-21(2,3)20(25)23-12-6-8-15(14-23)19(24)22-17-10-5-4-9-16(17)18-11-7-13-26-18/h4-5,7,9-11,13,15H,6,8,12,14H2,1-3H3,(H,22,24)/t15-/m1/s1
InChIKeyAZNKDYMNJUHLEC-OAHLLOKOSA-N
XLogP4.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(2-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857586
(3S)-1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 94857559
1-(2,2-dimethylpropanoyl)-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 47987033
N-(2-thiophen-2-ylphenyl)piperidine-3-carboxamide
CID 43709708
N-(2-iodophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55559011
1-acetyl-N-(2-tert-butylphenyl)piperidine-3-carboxamide
CID 110686139
N-(5-amino-2-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 120568574
(3S)-N-(3-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857593
1-(2,2-dimethylpropanoyl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 47984430
N-(3,4-dimethylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47984504
(3R)-N-(3-anilinopropyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 95307693
N-(2,4-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47987007

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,2-dimethylpropanoyl)-N-(2-thiophen-2-ylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(2,2-dimethylpropanoyl)-N-(2-thiophen-2-ylphenyl)piperidine-3-carboxamide (CID 52514306) is (3R)-1-(2,2-dimethylpropanoyl)-N-(2-thiophen-2-ylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2,2-dimethylpropanoyl)-N-(2-thiophen-2-ylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2,2-dimethylpropanoyl)-N-(2-thiophen-2-ylphenyl)piperidine-3-carboxamide is CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2-c2cccs2)C1.
What is the InChIKey of (3R)-1-(2,2-dimethylpropanoyl)-N-(2-thiophen-2-ylphenyl)piperidine-3-carboxamide?
The InChIKey is AZNKDYMNJUHLEC-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-21(2,3)20(25)23-12-6-8-15(14-23)19(24)22-17-10-5-4-9-16(17)18-11-7-13-26-18/h4-5,7,9-11,13,15H,6,8,12,14H2,1-3H3,(H,22,24)/t15-/m1/s1.
What are the key properties of (3R)-1-(2,2-dimethylpropanoyl)-N-(2-thiophen-2-ylphenyl)piperidine-3-carboxamide?
(3R)-1-(2,2-dimethylpropanoyl)-N-(2-thiophen-2-ylphenyl)piperidine-3-carboxamide has a molecular weight of 370.52 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,2-dimethylpropanoyl)-N-(2-thiophen-2-ylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 52514306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).