2,2-dimethyl-N-[(S)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide

C25H35N3O — CID 92581928

IUPAC2,2-dimethyl-N-[(S)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide
SMILESC[C@@H](CN1CCC([C@H](NC(=O)C(C)(C)C)c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C25H35N3O/c1-19(20-10-6-5-7-11-20)18-28-16-13-21(14-17-28)23(22-12-8-9-15-26-22)27-24(29)25(2,3)4/h5-12,15,19,21,23H,13-14,16-18H2,1-4H3,(H,27,29)/t19-,23-/m0/s1
InChIKeyXWNVRXYYQYFAPA-CVDCTZTESA-N
MW393.58 g/mol
LogP4.80
Rot. Bonds6

About 2,2-dimethyl-N-[(S)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide

2,2-dimethyl-N-[(S)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide (PubChem CID 92581928) has the molecular formula C25H35N3O and a molecular weight of 393.58 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(S)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(S)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide
PubChem CID92581928
Molecular FormulaC25H35N3O
Molecular Weight393.58 g/mol
Exact Mass393.28
IUPAC Name2,2-dimethyl-N-[(S)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide
SMILESC[C@@H](CN1CCC([C@H](NC(=O)C(C)(C)C)c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C25H35N3O/c1-19(20-10-6-5-7-11-20)18-28-16-13-21(14-17-28)23(22-12-8-9-15-26-22)27-24(29)25(2,3)4/h5-12,15,19,21,23H,13-14,16-18H2,1-4H3,(H,27,29)/t19-,23-/m0/s1
InChIKeyXWNVRXYYQYFAPA-CVDCTZTESA-N
XLogP4.80
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.58
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-N-[(S)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide with MolForge

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Related Compounds

N-[[1-(2-phenylpropyl)piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide
CID 110226658
N-[(R)-[1-[(2S)-2-phenylpropyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide
CID 92581935
N-[[1-(cyclohexylmethyl)piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 110226619
N-[(S)-[1-[(3S)-3-phenylbutyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 92581839
N-[(R)-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92552003
N-[(R)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92552014
N-[(R)-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92551996
N-[(S)-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 95850865
2,2-dimethyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]propanamide
CID 92551988
1-[(2R)-2-phenylpropyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 95629246
N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2,2-dimethylpropanamide
CID 98135966
N-[(R)-[(3S)-1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92551929

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(S)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(S)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide (CID 92581928) is 2,2-dimethyl-N-[(S)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(S)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(S)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide is C[C@@H](CN1CCC([C@H](NC(=O)C(C)(C)C)c2ccccn2)CC1)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-N-[(S)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide?
The InChIKey is XWNVRXYYQYFAPA-CVDCTZTESA-N. The full InChI is InChI=1S/C25H35N3O/c1-19(20-10-6-5-7-11-20)18-28-16-13-21(14-17-28)23(22-12-8-9-15-26-22)27-24(29)25(2,3)4/h5-12,15,19,21,23H,13-14,16-18H2,1-4H3,(H,27,29)/t19-,23-/m0/s1.
What are the key properties of 2,2-dimethyl-N-[(S)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide?
2,2-dimethyl-N-[(S)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide has a molecular weight of 393.58 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(S)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide is sourced from PubChem (CID 92581928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).