N-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide;N-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide

C38H62N6O4 — CID 161325478

IUPACN-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide;N-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide
SMILESCc1cnc(OCC(C)(C)C(=O)N[C@@H]2CCN(C)C[C@H]2C)c(C)c1.Cc1cnc(OCC(C)(C)C(=O)N[C@H]2CCN(C)C[C@@H]2C)c(C)c1
InChIInChI=1S/2C19H31N3O2/c2*1-13-9-14(2)17(20-10-13)24-12-19(4,5)18(23)21-16-7-8-22(6)11-15(16)3/h2*9-10,15-16H,7-8,11-12H2,1-6H3,(H,21,23)/t2*15-,16-/m10/s1
InChIKeyVKSBGHUGYXGJGY-GKDAVOHLSA-N
MW666.95 g/mol
LogP5.12
Rot. Bonds10

About N-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide;N-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide

N-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide;N-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide (PubChem CID 161325478) has the molecular formula C38H62N6O4 and a molecular weight of 666.95 g/mol. Its IUPAC name is N-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide;N-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide;N-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide
PubChem CID161325478
Molecular FormulaC38H62N6O4
Molecular Weight666.95 g/mol
Exact Mass666.48
IUPAC NameN-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide;N-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide
SMILESCc1cnc(OCC(C)(C)C(=O)N[C@@H]2CCN(C)C[C@H]2C)c(C)c1.Cc1cnc(OCC(C)(C)C(=O)N[C@H]2CCN(C)C[C@@H]2C)c(C)c1
InChIInChI=1S/2C19H31N3O2/c2*1-13-9-14(2)17(20-10-13)24-12-19(4,5)18(23)21-16-7-8-22(6)11-15(16)3/h2*9-10,15-16H,7-8,11-12H2,1-6H3,(H,21,23)/t2*15-,16-/m10/s1
InChIKeyVKSBGHUGYXGJGY-GKDAVOHLSA-N
XLogP5.12
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.95
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide;N-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide;N-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide?
The IUPAC name of N-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide;N-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide (CID 161325478) is N-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide;N-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide;N-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide;N-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide is Cc1cnc(OCC(C)(C)C(=O)N[C@@H]2CCN(C)C[C@H]2C)c(C)c1.Cc1cnc(OCC(C)(C)C(=O)N[C@H]2CCN(C)C[C@@H]2C)c(C)c1.
What is the InChIKey of N-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide;N-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide?
The InChIKey is VKSBGHUGYXGJGY-GKDAVOHLSA-N. The full InChI is InChI=1S/2C19H31N3O2/c2*1-13-9-14(2)17(20-10-13)24-12-19(4,5)18(23)21-16-7-8-22(6)11-15(16)3/h2*9-10,15-16H,7-8,11-12H2,1-6H3,(H,21,23)/t2*15-,16-/m10/s1.
What are the key properties of N-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide;N-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide?
N-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide;N-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide has a molecular weight of 666.95 g/mol, XLogP of 5.12, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide;N-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide is sourced from PubChem (CID 161325478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).