N-[(R)-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide

C25H35N3O3 — CID 92551996

IUPACN-[(R)-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(OC)c(CN2CCC([C@@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)c1
InChIInChI=1S/C25H35N3O3/c1-25(2,3)24(29)27-23(21-8-6-7-13-26-21)18-11-14-28(15-12-18)17-19-16-20(30-4)9-10-22(19)31-5/h6-10,13,16,18,23H,11-12,14-15,17H2,1-5H3,(H,27,29)/t23-/m1/s1
InChIKeyCNQZHSKWZLNKAF-HSZRJFAPSA-N
MW425.57 g/mol
LogP4.21
Rot. Bonds7

About N-[(R)-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide

N-[(R)-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide (PubChem CID 92551996) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is N-[(R)-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(R)-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
PubChem CID92551996
Molecular FormulaC25H35N3O3
Molecular Weight425.57 g/mol
Exact Mass425.27
IUPAC NameN-[(R)-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(OC)c(CN2CCC([C@@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)c1
InChIInChI=1S/C25H35N3O3/c1-25(2,3)24(29)27-23(21-8-6-7-13-26-21)18-11-14-28(15-12-18)17-19-16-20(30-4)9-10-22(19)31-5/h6-10,13,16,18,23H,11-12,14-15,17H2,1-5H3,(H,27,29)/t23-/m1/s1
InChIKeyCNQZHSKWZLNKAF-HSZRJFAPSA-N
XLogP4.21
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(S)-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 95850865
N-[(R)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92552014
N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 110229386
N-[[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide
CID 110234604
N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide
CID 110226611
N-[(R)-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92552003
N-[(R)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide
CID 95857787
N-[[1-(cyclohexylmethyl)piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 110226619
N-[(R)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
CID 92561853
N-[(R)-[(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92551899
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

Frequently Asked Questions

What is the IUPAC name of N-[(R)-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(R)-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide (CID 92551996) is N-[(R)-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(R)-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(R)-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide is COc1ccc(OC)c(CN2CCC([C@@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)c1.
What is the InChIKey of N-[(R)-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide?
The InChIKey is CNQZHSKWZLNKAF-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H35N3O3/c1-25(2,3)24(29)27-23(21-8-6-7-13-26-21)18-11-14-28(15-12-18)17-19-16-20(30-4)9-10-22(19)31-5/h6-10,13,16,18,23H,11-12,14-15,17H2,1-5H3,(H,27,29)/t23-/m1/s1.
What are the key properties of N-[(R)-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide?
N-[(R)-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide has a molecular weight of 425.57 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 92551996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).