N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide

C25H35N3O2 — CID 110229386

IUPACN-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(C)cc1CN1CCCC(C(NC(=O)C(C)(C)C)c2ccccn2)C1
InChIInChI=1S/C25H35N3O2/c1-18-11-12-22(30-5)20(15-18)17-28-14-8-9-19(16-28)23(21-10-6-7-13-26-21)27-24(29)25(2,3)4/h6-7,10-13,15,19,23H,8-9,14,16-17H2,1-5H3,(H,27,29)
InChIKeyFFUFRNCBEZQEJL-UHFFFAOYSA-N
MW409.57 g/mol
LogP4.51
Rot. Bonds6

About N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide

N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide (PubChem CID 110229386) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
PubChem CID110229386
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC NameN-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(C)cc1CN1CCCC(C(NC(=O)C(C)(C)C)c2ccccn2)C1
InChIInChI=1S/C25H35N3O2/c1-18-11-12-22(30-5)20(15-18)17-28-14-8-9-19(16-28)23(21-10-6-7-13-26-21)27-24(29)25(2,3)4/h6-7,10-13,15,19,23H,8-9,14,16-17H2,1-5H3,(H,27,29)
InChIKeyFFUFRNCBEZQEJL-UHFFFAOYSA-N
XLogP4.51
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.57
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide with MolForge

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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-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92551996
N-[(S)-[(3R)-1-[(8-methoxyquinolin-2-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 95857840
2,2-dimethyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]propanamide
CID 92551988
N-[(R)-[(3S)-1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92551929
N-[(S)-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclopentanecarboxamide
CID 95795377
N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
CID 110228754
N-[(R)-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-methylbutanamide
CID 95795365
N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 110243763
N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methoxybenzamide
CID 110229241
N-[(R)-[(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92551899
(2S)-N-[(S)-[(3S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]oxolane-2-carboxamide
CID 95795561

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide (CID 110229386) is N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide is COc1ccc(C)cc1CN1CCCC(C(NC(=O)C(C)(C)C)c2ccccn2)C1.
What is the InChIKey of N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide?
The InChIKey is FFUFRNCBEZQEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-18-11-12-22(30-5)20(15-18)17-28-14-8-9-19(16-28)23(21-10-6-7-13-26-21)27-24(29)25(2,3)4/h6-7,10-13,15,19,23H,8-9,14,16-17H2,1-5H3,(H,27,29).
What are the key properties of N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide?
N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide has a molecular weight of 409.57 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 110229386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).