N-[[1-(3,4-diethylbenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2,2-dimethylpropanamide

C22H34N2O3 — CID 138048719

IUPACN-[[1-(3,4-diethylbenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2,2-dimethylpropanamide
SMILESCCc1ccc(C(=O)N2CCC(O)(CNC(=O)C(C)(C)C)CC2)cc1CC
InChIInChI=1S/C22H34N2O3/c1-6-16-8-9-18(14-17(16)7-2)19(25)24-12-10-22(27,11-13-24)15-23-20(26)21(3,4)5/h8-9,14,27H,6-7,10-13,15H2,1-5H3,(H,23,26)
InChIKeyOOBKMZPBHFQKFF-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.94
Rot. Bonds5

About N-[[1-(3,4-diethylbenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2,2-dimethylpropanamide

N-[[1-(3,4-diethylbenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2,2-dimethylpropanamide (PubChem CID 138048719) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-[[1-(3,4-diethylbenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[1-(3,4-diethylbenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2,2-dimethylpropanamide
PubChem CID138048719
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC NameN-[[1-(3,4-diethylbenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2,2-dimethylpropanamide
SMILESCCc1ccc(C(=O)N2CCC(O)(CNC(=O)C(C)(C)C)CC2)cc1CC
InChIInChI=1S/C22H34N2O3/c1-6-16-8-9-18(14-17(16)7-2)19(25)24-12-10-22(27,11-13-24)15-23-20(26)21(3,4)5/h8-9,14,27H,6-7,10-13,15H2,1-5H3,(H,23,26)
InChIKeyOOBKMZPBHFQKFF-UHFFFAOYSA-N
XLogP2.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethyl-4-hydroxypiperidine-1-carbonyl)benzamide
CID 119138253
8-azaspiro[4.5]decan-8-yl-(4-ethyl-3-methylsulfonylphenyl)methanone
CID 146124156
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2,2-dimethylpropanamide
CID 46378993
[3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-(4-methyl-4-phenylpiperidin-1-yl)methanone
CID 138473789
N-[3-[4-(azepane-1-carbonyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 47063381
(4-tert-butylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80706809
(3-chloro-4-ethylphenyl)-piperazin-1-ylmethanone
CID 82554254
methyl 2-[4-[3-[(2,2-dimethylpropanoylamino)methyl]benzoyl]piperazin-1-yl]acetate
CID 138647166
N-[[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide
CID 119622496
(3-bromo-4-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 107999537
(3,4-dihydroxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103957511
(4-ethyl-4-methylpiperidin-1-yl)-[4-(methylamino)phenyl]methanone
CID 55160072

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-diethylbenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[1-(3,4-diethylbenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2,2-dimethylpropanamide (CID 138048719) is N-[[1-(3,4-diethylbenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[1-(3,4-diethylbenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[1-(3,4-diethylbenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2,2-dimethylpropanamide is CCc1ccc(C(=O)N2CCC(O)(CNC(=O)C(C)(C)C)CC2)cc1CC.
What is the InChIKey of N-[[1-(3,4-diethylbenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2,2-dimethylpropanamide?
The InChIKey is OOBKMZPBHFQKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-6-16-8-9-18(14-17(16)7-2)19(25)24-12-10-22(27,11-13-24)15-23-20(26)21(3,4)5/h8-9,14,27H,6-7,10-13,15H2,1-5H3,(H,23,26).
What are the key properties of N-[[1-(3,4-diethylbenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2,2-dimethylpropanamide?
N-[[1-(3,4-diethylbenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2,2-dimethylpropanamide has a molecular weight of 374.53 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-diethylbenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 138048719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).