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

C19H28N2O4 — CID 47987007

IUPACN-(2,4-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(C(=O)C(C)(C)C)C2)c(OC)c1
InChIInChI=1S/C19H28N2O4/c1-19(2,3)18(23)21-10-6-7-13(12-21)17(22)20-15-9-8-14(24-4)11-16(15)25-5/h8-9,11,13H,6-7,10,12H2,1-5H3,(H,20,22)
InChIKeyKEEDXDYYIICPQV-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.93
Rot. Bonds4

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

N-(2,4-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide (PubChem CID 47987007) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
PubChem CID47987007
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC NameN-(2,4-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(C(=O)C(C)(C)C)C2)c(OC)c1
InChIInChI=1S/C19H28N2O4/c1-19(2,3)18(23)21-10-6-7-13(12-21)17(22)20-15-9-8-14(24-4)11-16(15)25-5/h8-9,11,13H,6-7,10,12H2,1-5H3,(H,20,22)
InChIKeyKEEDXDYYIICPQV-UHFFFAOYSA-N
XLogP2.93
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47986267
(3S)-1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 94857559
N-(2,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide
CID 110860603
1-[(3R)-3-(2,4-dimethoxybenzoyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 97138740
N-(2,4-dimethoxyphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 50803885
(3S)-1-(4-chlorobenzoyl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 26735004
N-(2,4-dimethoxyphenyl)-1-(1H-indole-2-carbonyl)piperidine-3-carboxamide
CID 42649283
1-(2,2-dimethylpropanoyl)-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 47987033
(3S)-1-(benzenesulfonyl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 7379045
1-(2,2-dimethylpropanoyl)-N-[2-(4-methoxyphenoxy)ethyl]piperidine-3-carboxamide
CID 47989754
N-(2,4-dimethoxyphenyl)-3-(6-methoxynaphthalene-2-carbonyl)piperidine-1-carboxamide
CID 45211600
N-(3,4-dimethylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47984504

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide (CID 47987007) is N-(2,4-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide is COc1ccc(NC(=O)C2CCCN(C(=O)C(C)(C)C)C2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide?
The InChIKey is KEEDXDYYIICPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-19(2,3)18(23)21-10-6-7-13(12-21)17(22)20-15-9-8-14(24-4)11-16(15)25-5/h8-9,11,13H,6-7,10,12H2,1-5H3,(H,20,22).
What are the key properties of N-(2,4-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide?
N-(2,4-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide has a molecular weight of 348.44 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 47987007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).