N-[(R)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide

C24H33N3O2 — CID 92552014

IUPACN-[(R)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
SMILESCOc1cccc(CN2CCC([C@@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)c1
InChIInChI=1S/C24H33N3O2/c1-24(2,3)23(28)26-22(21-10-5-6-13-25-21)19-11-14-27(15-12-19)17-18-8-7-9-20(16-18)29-4/h5-10,13,16,19,22H,11-12,14-15,17H2,1-4H3,(H,26,28)/t22-/m1/s1
InChIKeyLGEAGVZAWGWKMQ-JOCHJYFZSA-N
MW395.55 g/mol
LogP4.21
Rot. Bonds6

About N-[(R)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide

N-[(R)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide (PubChem CID 92552014) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[(R)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(R)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
PubChem CID92552014
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC NameN-[(R)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
SMILESCOc1cccc(CN2CCC([C@@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)c1
InChIInChI=1S/C24H33N3O2/c1-24(2,3)23(28)26-22(21-10-5-6-13-25-21)19-11-14-27(15-12-19)17-18-8-7-9-20(16-18)29-4/h5-10,13,16,19,22H,11-12,14-15,17H2,1-4H3,(H,26,28)/t22-/m1/s1
InChIKeyLGEAGVZAWGWKMQ-JOCHJYFZSA-N
XLogP4.21
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92551996
N-[(R)-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92552003
N-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide
CID 110228619
3-fluoro-N-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide
CID 110228651
N-[(S)-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 95850865
N-[[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-phenylacetamide
CID 110228739
N-[[1-(cyclohexylmethyl)piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 110226619
N-[(S)-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 92550248
N-[pyridin-2-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 110226572
2,2-dimethyl-N-[(S)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide
CID 92581928
N-[(R)-[(3S)-1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92551929
2-cyclopentyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 110228643

Frequently Asked Questions

What is the IUPAC name of N-[(R)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(R)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide (CID 92552014) is N-[(R)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(R)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(R)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide is COc1cccc(CN2CCC([C@@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)c1.
What is the InChIKey of N-[(R)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide?
The InChIKey is LGEAGVZAWGWKMQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-24(2,3)23(28)26-22(21-10-5-6-13-25-21)19-11-14-27(15-12-19)17-18-8-7-9-20(16-18)29-4/h5-10,13,16,19,22H,11-12,14-15,17H2,1-4H3,(H,26,28)/t22-/m1/s1.
What are the key properties of N-[(R)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide?
N-[(R)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide has a molecular weight of 395.55 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 92552014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).