1-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)piperidine-3-carboxamide

C19H30N2O2 — CID 136512107

IUPAC1-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)piperidine-3-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C19H30N2O2/c1-4-21(15-19(2,3)23)18(22)17-11-8-12-20(14-17)13-16-9-6-5-7-10-16/h5-7,9-10,17,23H,4,8,11-15H2,1-3H3
InChIKeyUNQAUNZBBFPQED-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.52
Rot. Bonds6

About 1-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)piperidine-3-carboxamide

1-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)piperidine-3-carboxamide (PubChem CID 136512107) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)piperidine-3-carboxamide
PubChem CID136512107
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name1-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)piperidine-3-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C19H30N2O2/c1-4-21(15-19(2,3)23)18(22)17-11-8-12-20(14-17)13-16-9-6-5-7-10-16/h5-7,9-10,17,23H,4,8,11-15H2,1-3H3
InChIKeyUNQAUNZBBFPQED-UHFFFAOYSA-N
XLogP2.52
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-[[4-[[3-[benzyl(ethyl)carbamoyl]piperidin-1-yl]methyl]phenyl]methyl]-N-ethylpiperidine-3-carboxamide;hydrobromide
CID 67856003
(3R)-1-[[4-[[(3R)-3-(diethylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide;dihydrobromide
CID 3072460
4-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)morpholine-2-carboxamide
CID 111596452
(3S)-N,N-diethyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 1377142
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 111596383
(3R)-N,N-diethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 26457997
(3R)-N,N-diethyl-1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide
CID 764273
1-benzylpiperidine-3-carbonyl chloride
CID 22006205
N-benzyl-1-[(4-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide;oxalic acid
CID 90483616
2-(4-benzylmorpholin-2-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 111596023
N,N-dibenzyl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43918918
1-[(3,4-difluorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 2838224

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)piperidine-3-carboxamide (CID 136512107) is 1-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)piperidine-3-carboxamide is CCN(CC(C)(C)O)C(=O)C1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)piperidine-3-carboxamide?
The InChIKey is UNQAUNZBBFPQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-4-21(15-19(2,3)23)18(22)17-11-8-12-20(14-17)13-16-9-6-5-7-10-16/h5-7,9-10,17,23H,4,8,11-15H2,1-3H3.
What are the key properties of 1-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)piperidine-3-carboxamide?
1-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)piperidine-3-carboxamide has a molecular weight of 318.46 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 136512107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).