2,2-dimethyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]propanamide

C22H30N4O — CID 92551988

IUPAC2,2-dimethyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]propanamide
SMILESCC(C)(C)C(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccncc2)C1
InChIInChI=1S/C22H30N4O/c1-22(2,3)21(27)25-20(19-8-4-5-11-24-19)18-7-6-14-26(16-18)15-17-9-12-23-13-10-17/h4-5,8-13,18,20H,6-7,14-16H2,1-3H3,(H,25,27)/t18-,20+/m1/s1
InChIKeyCTSCWYPRJHWGPV-QUCCMNQESA-N
MW366.51 g/mol
LogP3.59
Rot. Bonds5

About 2,2-dimethyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]propanamide

2,2-dimethyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]propanamide (PubChem CID 92551988) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]propanamide
PubChem CID92551988
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name2,2-dimethyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]propanamide
SMILESCC(C)(C)C(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccncc2)C1
InChIInChI=1S/C22H30N4O/c1-22(2,3)21(27)25-20(19-8-4-5-11-24-19)18-7-6-14-26(16-18)15-17-9-12-23-13-10-17/h4-5,8-13,18,20H,6-7,14-16H2,1-3H3,(H,25,27)/t18-,20+/m1/s1
InChIKeyCTSCWYPRJHWGPV-QUCCMNQESA-N
XLogP3.59
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]propanamide with MolForge

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Related Compounds

N-[(R)-[(3S)-1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92551929
2-phenyl-N-[(S)-pyridin-2-yl-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]acetamide
CID 92574475
N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 110229386
N-[(S)-[(3R)-1-[(8-methoxyquinolin-2-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 95857840
N-[(R)-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92552003
2-phenyl-N-[(R)-pyridin-2-yl-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]acetamide
CID 92574472
2-methoxy-N-[(S)-[(3S)-1-[(4-phenylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide
CID 92610896
N-[(R)-[(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92551899
N-[(S)-[(3R)-1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-methylbutanamide
CID 92579029
N-[[1-(cyclohexylmethyl)piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 110226619
N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-phenylpropanamide
CID 110229251
N-[(R)-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-phenylpropanamide
CID 92574646

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]propanamide (CID 92551988) is 2,2-dimethyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]propanamide is CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccncc2)C1.
What is the InChIKey of 2,2-dimethyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]propanamide?
The InChIKey is CTSCWYPRJHWGPV-QUCCMNQESA-N. The full InChI is InChI=1S/C22H30N4O/c1-22(2,3)21(27)25-20(19-8-4-5-11-24-19)18-7-6-14-26(16-18)15-17-9-12-23-13-10-17/h4-5,8-13,18,20H,6-7,14-16H2,1-3H3,(H,25,27)/t18-,20+/m1/s1.
What are the key properties of 2,2-dimethyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]propanamide?
2,2-dimethyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]propanamide has a molecular weight of 366.51 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]propanamide is sourced from PubChem (CID 92551988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).