(3R)-1-(2,2-dimethylpropanoyl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide

C19H28N2O3 — CID 94857499

IUPAC(3R)-1-(2,2-dimethylpropanoyl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)cc1
InChIInChI=1S/C19H28N2O3/c1-5-24-16-10-8-15(9-11-16)20-17(22)14-7-6-12-21(13-14)18(23)19(2,3)4/h8-11,14H,5-7,12-13H2,1-4H3,(H,20,22)/t14-/m1/s1
InChIKeyRYPXIKAJLHWQQH-CQSZACIVSA-N
MW332.44 g/mol
LogP3.31
Rot. Bonds4

About (3R)-1-(2,2-dimethylpropanoyl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide

(3R)-1-(2,2-dimethylpropanoyl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide (PubChem CID 94857499) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (3R)-1-(2,2-dimethylpropanoyl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2,2-dimethylpropanoyl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide
PubChem CID94857499
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(3R)-1-(2,2-dimethylpropanoyl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)cc1
InChIInChI=1S/C19H28N2O3/c1-5-24-16-10-8-15(9-11-16)20-17(22)14-7-6-12-21(13-14)18(23)19(2,3)4/h8-11,14H,5-7,12-13H2,1-4H3,(H,20,22)/t14-/m1/s1
InChIKeyRYPXIKAJLHWQQH-CQSZACIVSA-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)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435320
1-(2,2-dimethylpropanoyl)-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 47987033
(3S)-N-(4-ethoxyphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51562316
tert-butyl 3-[(4-butoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 84554251
N-(3,4-dimethylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47984504
2-[[4-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]amino]benzoyl]amino]acetic acid
CID 119220485
N-[4-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46557429
(3R)-N-(3-chloro-4-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857626
1-(2,2-dimethylpropanoyl)-N-[2-(4-methoxyphenoxy)ethyl]piperidine-3-carboxamide
CID 47989754
1-[(4-ethoxyphenyl)carbamothioyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 43076775
N-(2,4-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47987007
N-(4-propan-2-yloxyphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
CID 110344310

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,2-dimethylpropanoyl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(2,2-dimethylpropanoyl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide (CID 94857499) is (3R)-1-(2,2-dimethylpropanoyl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2,2-dimethylpropanoyl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2,2-dimethylpropanoyl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide is CCOc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)cc1.
What is the InChIKey of (3R)-1-(2,2-dimethylpropanoyl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide?
The InChIKey is RYPXIKAJLHWQQH-CQSZACIVSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-5-24-16-10-8-15(9-11-16)20-17(22)14-7-6-12-21(13-14)18(23)19(2,3)4/h8-11,14H,5-7,12-13H2,1-4H3,(H,20,22)/t14-/m1/s1.
What are the key properties of (3R)-1-(2,2-dimethylpropanoyl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide?
(3R)-1-(2,2-dimethylpropanoyl)-N-(4-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 (3R)-1-(2,2-dimethylpropanoyl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 94857499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).