N-(2-ethoxyphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide

C19H28N2O3 — CID 113007533

IUPACN-(2-ethoxyphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CCN(C(=O)CC(C)C)CC1
InChIInChI=1S/C19H28N2O3/c1-4-24-17-8-6-5-7-16(17)20-19(23)15-9-11-21(12-10-15)18(22)13-14(2)3/h5-8,14-15H,4,9-13H2,1-3H3,(H,20,23)
InChIKeyUVNDDMPPGWUZIK-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.31
Rot. Bonds6

About N-(2-ethoxyphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide

N-(2-ethoxyphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide (PubChem CID 113007533) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
PubChem CID113007533
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-(2-ethoxyphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CCN(C(=O)CC(C)C)CC1
InChIInChI=1S/C19H28N2O3/c1-4-24-17-8-6-5-7-16(17)20-19(23)15-9-11-21(12-10-15)18(22)13-14(2)3/h5-8,14-15H,4,9-13H2,1-3H3,(H,20,23)
InChIKeyUVNDDMPPGWUZIK-UHFFFAOYSA-N
XLogP3.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

N-(2-chlorophenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113007102
N-[2-(2,4-dichlorophenoxy)phenyl]-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 15951868
1-(3-methylbutanoyl)-N-[2-[4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]oxyphenyl]piperidine-4-carboxamide
CID 71227956
1-(2-amino-2-oxoethyl)-N-(2-ethoxyphenyl)piperidine-4-carboxamide
CID 16909193
1-(3,3-diphenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 38646196
1-(4-tert-butylbenzoyl)-N-(2-ethoxyphenyl)piperidine-4-carboxamide
CID 126062025
4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151014
N-(2-ethoxyphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 126021956
1-(3-methylbutanoyl)-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008357
N-(2-ethoxyphenyl)-1-propylsulfonylpiperidine-4-carboxamide
CID 113007558
N-(2,6-diethylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113006871
N-(2-ethoxyphenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113007539

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide (CID 113007533) is N-(2-ethoxyphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide is CCOc1ccccc1NC(=O)C1CCN(C(=O)CC(C)C)CC1.
What is the InChIKey of N-(2-ethoxyphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide?
The InChIKey is UVNDDMPPGWUZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-4-24-17-8-6-5-7-16(17)20-19(23)15-9-11-21(12-10-15)18(22)13-14(2)3/h5-8,14-15H,4,9-13H2,1-3H3,(H,20,23).
What are the key properties of N-(2-ethoxyphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide?
N-(2-ethoxyphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 113007533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).