N-[[4-(4-methoxyphenyl)-1-propan-2-ylpiperidin-4-yl]methyl]-2,2-dimethylpropanamide

C21H34N2O2 — CID 67986619

IUPACN-[[4-(4-methoxyphenyl)-1-propan-2-ylpiperidin-4-yl]methyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(C2(CNC(=O)C(C)(C)C)CCN(C(C)C)CC2)cc1
InChIInChI=1S/C21H34N2O2/c1-16(2)23-13-11-21(12-14-23,15-22-19(24)20(3,4)5)17-7-9-18(25-6)10-8-17/h7-10,16H,11-15H2,1-6H3,(H,22,24)
InChIKeyJRLNXAILAJSDGT-UHFFFAOYSA-N
MW346.52 g/mol
LogP3.60
Rot. Bonds5

About N-[[4-(4-methoxyphenyl)-1-propan-2-ylpiperidin-4-yl]methyl]-2,2-dimethylpropanamide

N-[[4-(4-methoxyphenyl)-1-propan-2-ylpiperidin-4-yl]methyl]-2,2-dimethylpropanamide (PubChem CID 67986619) has the molecular formula C21H34N2O2 and a molecular weight of 346.52 g/mol. Its IUPAC name is N-[[4-(4-methoxyphenyl)-1-propan-2-ylpiperidin-4-yl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[4-(4-methoxyphenyl)-1-propan-2-ylpiperidin-4-yl]methyl]-2,2-dimethylpropanamide
PubChem CID67986619
Molecular FormulaC21H34N2O2
Molecular Weight346.52 g/mol
Exact Mass346.26
IUPAC NameN-[[4-(4-methoxyphenyl)-1-propan-2-ylpiperidin-4-yl]methyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(C2(CNC(=O)C(C)(C)C)CCN(C(C)C)CC2)cc1
InChIInChI=1S/C21H34N2O2/c1-16(2)23-13-11-21(12-14-23,15-22-19(24)20(3,4)5)17-7-9-18(25-6)10-8-17/h7-10,16H,11-15H2,1-6H3,(H,22,24)
InChIKeyJRLNXAILAJSDGT-UHFFFAOYSA-N
XLogP3.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-2-methylpropanamide
CID 110478485
2-amino-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-methylbutanamide
CID 110481439
2-(4-methoxyphenyl)-2-methyl-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110437831
1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-propylurea
CID 113214568
1-(1-hydroxypropan-2-yl)-3-[[1-(4-methoxyphenyl)cyclohexyl]methyl]urea
CID 47875472
(2S)-2-(hydroxymethyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide
CID 75464751
1,1-diethyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 110445113
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,2-diphenylacetamide
CID 113090745
4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methylpiperidine-4-carboxamide
CID 74232996
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,2-dimethylpropanamide
CID 51173094
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide
CID 42265583
(2S)-2-imidazol-1-yl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]propanamide
CID 126431688

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methoxyphenyl)-1-propan-2-ylpiperidin-4-yl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[4-(4-methoxyphenyl)-1-propan-2-ylpiperidin-4-yl]methyl]-2,2-dimethylpropanamide (CID 67986619) is N-[[4-(4-methoxyphenyl)-1-propan-2-ylpiperidin-4-yl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[4-(4-methoxyphenyl)-1-propan-2-ylpiperidin-4-yl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[4-(4-methoxyphenyl)-1-propan-2-ylpiperidin-4-yl]methyl]-2,2-dimethylpropanamide is COc1ccc(C2(CNC(=O)C(C)(C)C)CCN(C(C)C)CC2)cc1.
What is the InChIKey of N-[[4-(4-methoxyphenyl)-1-propan-2-ylpiperidin-4-yl]methyl]-2,2-dimethylpropanamide?
The InChIKey is JRLNXAILAJSDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-16(2)23-13-11-21(12-14-23,15-22-19(24)20(3,4)5)17-7-9-18(25-6)10-8-17/h7-10,16H,11-15H2,1-6H3,(H,22,24).
What are the key properties of N-[[4-(4-methoxyphenyl)-1-propan-2-ylpiperidin-4-yl]methyl]-2,2-dimethylpropanamide?
N-[[4-(4-methoxyphenyl)-1-propan-2-ylpiperidin-4-yl]methyl]-2,2-dimethylpropanamide has a molecular weight of 346.52 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methoxyphenyl)-1-propan-2-ylpiperidin-4-yl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 67986619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).