1-(2,2-dimethylpropanoyl)-N-(2-ethoxyphenyl)piperidine-3-carboxamide

C19H28N2O3 — CID 47987033

IUPAC1-(2,2-dimethylpropanoyl)-N-(2-ethoxyphenyl)piperidine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CCCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C19H28N2O3/c1-5-24-16-11-7-6-10-15(16)20-17(22)14-9-8-12-21(13-14)18(23)19(2,3)4/h6-7,10-11,14H,5,8-9,12-13H2,1-4H3,(H,20,22)
InChIKeyVSQKLOXBMVSMFI-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.31
Rot. Bonds4

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

1-(2,2-dimethylpropanoyl)-N-(2-ethoxyphenyl)piperidine-3-carboxamide (PubChem CID 47987033) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-(2-ethoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-(2-ethoxyphenyl)piperidine-3-carboxamide
PubChem CID47987033
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-(2,2-dimethylpropanoyl)-N-(2-ethoxyphenyl)piperidine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CCCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C19H28N2O3/c1-5-24-16-11-7-6-10-15(16)20-17(22)14-9-8-12-21(13-14)18(23)19(2,3)4/h6-7,10-11,14H,5,8-9,12-13H2,1-4H3,(H,20,22)
InChIKeyVSQKLOXBMVSMFI-UHFFFAOYSA-N
XLogP3.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 94857559
(3S)-1-N-benzyl-3-N-(2-ethoxyphenyl)piperidine-1,3-dicarboxamide
CID 7435314
(3R)-N-(2-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857586
(3R)-1-(2,2-dimethylpropanoyl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide
CID 94857499
(3R)-1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 93490668
N-(2-ethoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109150085
1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 43919718
N-(2-ethoxyphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43919757
N-(2,4-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47987007
N-(2-butoxyphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 55906919
N-(2-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43919730
(3R)-N-(2-ethoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1075960

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-(2-ethoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-(2-ethoxyphenyl)piperidine-3-carboxamide (CID 47987033) is 1-(2,2-dimethylpropanoyl)-N-(2-ethoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-(2-ethoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-(2-ethoxyphenyl)piperidine-3-carboxamide is CCOc1ccccc1NC(=O)C1CCCN(C(=O)C(C)(C)C)C1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-(2-ethoxyphenyl)piperidine-3-carboxamide?
The InChIKey is VSQKLOXBMVSMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-5-24-16-11-7-6-10-15(16)20-17(22)14-9-8-12-21(13-14)18(23)19(2,3)4/h6-7,10-11,14H,5,8-9,12-13H2,1-4H3,(H,20,22).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-(2-ethoxyphenyl)piperidine-3-carboxamide?
1-(2,2-dimethylpropanoyl)-N-(2-ethoxyphenyl)piperidine-3-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-(2-ethoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 47987033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).