(3S)-1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide

C18H26N2O3 — CID 94857559

IUPAC(3S)-1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccccc1NC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C18H26N2O3/c1-18(2,3)17(22)20-11-7-8-13(12-20)16(21)19-14-9-5-6-10-15(14)23-4/h5-6,9-10,13H,7-8,11-12H2,1-4H3,(H,19,21)/t13-/m0/s1
InChIKeyRSISFANJKWQRDG-ZDUSSCGKSA-N
MW318.42 g/mol
LogP2.92
Rot. Bonds3

About (3S)-1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide

(3S)-1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide (PubChem CID 94857559) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (3S)-1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
PubChem CID94857559
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(3S)-1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccccc1NC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C18H26N2O3/c1-18(2,3)17(22)20-11-7-8-13(12-20)16(21)19-14-9-5-6-10-15(14)23-4/h5-6,9-10,13H,7-8,11-12H2,1-4H3,(H,19,21)/t13-/m0/s1
InChIKeyRSISFANJKWQRDG-ZDUSSCGKSA-N
XLogP2.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylpropanoyl)-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 47987033
N-(2,4-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47987007
1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17224335
N-(2,5-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47986267
(3R)-N-(2-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857586
3-N-(2-methoxyphenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817552
(3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 7372009
N-(2-methoxyphenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108966766
(3R)-1-(2,2-dimethylpropanoyl)-N-(2-thiophen-2-ylphenyl)piperidine-3-carboxamide
CID 52514306
(3S)-1-(dimethylsulfamoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 28575034
1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
N-(3,4-dimethylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47984504

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide (CID 94857559) is (3S)-1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide is COc1ccccc1NC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1.
What is the InChIKey of (3S)-1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide?
The InChIKey is RSISFANJKWQRDG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-18(2,3)17(22)20-11-7-8-13(12-20)16(21)19-14-9-5-6-10-15(14)23-4/h5-6,9-10,13H,7-8,11-12H2,1-4H3,(H,19,21)/t13-/m0/s1.
What are the key properties of (3S)-1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide?
(3S)-1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 94857559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).