N-(1-benzylpiperidin-4-yl)-3-methoxy-N,2-dimethylpropanamide

C18H28N2O2 — CID 136525412

IUPACN-(1-benzylpiperidin-4-yl)-3-methoxy-N,2-dimethylpropanamide
SMILESCOCC(C)C(=O)N(C)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H28N2O2/c1-15(14-22-3)18(21)19(2)17-9-11-20(12-10-17)13-16-7-5-4-6-8-16/h4-8,15,17H,9-14H2,1-3H3
InChIKeyPTYLZRXHRIOXMS-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.39
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-3-methoxy-N,2-dimethylpropanamide

N-(1-benzylpiperidin-4-yl)-3-methoxy-N,2-dimethylpropanamide (PubChem CID 136525412) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-methoxy-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-methoxy-N,2-dimethylpropanamide
PubChem CID136525412
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-methoxy-N,2-dimethylpropanamide
SMILESCOCC(C)C(=O)N(C)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H28N2O2/c1-15(14-22-3)18(21)19(2)17-9-11-20(12-10-17)13-16-7-5-4-6-8-16/h4-8,15,17H,9-14H2,1-3H3
InChIKeyPTYLZRXHRIOXMS-UHFFFAOYSA-N
XLogP2.39
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878304
N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride
CID 82379735
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methyl-3-phenylpropanamide;dihydrochloride
CID 119878253
4-amino-N-(1-benzylpiperidin-4-yl)-N-methylpentanamide
CID 120565396
methyl N-(1-benzylpiperidin-4-yl)-N-(2-methylpropyl)carbamate
CID 19913817
3-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878325
1-(4-benzyl-1,4-diazepan-1-yl)-3-methoxy-2-methylpropan-1-one
CID 136523621
(2S)-2-amino-N-[(3R)-1-benzylpiperidin-3-yl]-N,3-dimethylbutanamide
CID 66563977
N-(1-benzylpiperidin-4-yl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 154801400
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
1-amino-N-(1-benzylpiperidin-4-yl)-N-methylcyclopentane-1-carboxamide
CID 119878264
N-(1-benzylpiperidin-4-yl)-4-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride
CID 119878310

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-methoxy-N,2-dimethylpropanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-methoxy-N,2-dimethylpropanamide (CID 136525412) is N-(1-benzylpiperidin-4-yl)-3-methoxy-N,2-dimethylpropanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-methoxy-N,2-dimethylpropanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-methoxy-N,2-dimethylpropanamide is COCC(C)C(=O)N(C)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-methoxy-N,2-dimethylpropanamide?
The InChIKey is PTYLZRXHRIOXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-15(14-22-3)18(21)19(2)17-9-11-20(12-10-17)13-16-7-5-4-6-8-16/h4-8,15,17H,9-14H2,1-3H3.
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-methoxy-N,2-dimethylpropanamide?
N-(1-benzylpiperidin-4-yl)-3-methoxy-N,2-dimethylpropanamide has a molecular weight of 304.43 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-methoxy-N,2-dimethylpropanamide is sourced from PubChem (CID 136525412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).