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

C19H31N3O2 — CID 146424091

IUPACN-[(3S,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
InChIInChI=1S/C19H31N3O2/c1-13-9-14(2)17(20-10-13)24-12-19(4,5)18(23)21-16-7-8-22(6)11-15(16)3/h9-10,15-16H,7-8,11-12H2,1-6H3,(H,21,23)/t15-,16+/m0/s1
InChIKeyOKSHSYZANJEHNU-JKSUJKDBSA-N
MW333.48 g/mol
LogP2.56
Rot. Bonds5

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

N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide (PubChem CID 146424091) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide
PubChem CID146424091
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN-[(3S,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
InChIInChI=1S/C19H31N3O2/c1-13-9-14(2)17(20-10-13)24-12-19(4,5)18(23)21-16-7-8-22(6)11-15(16)3/h9-10,15-16H,7-8,11-12H2,1-6H3,(H,21,23)/t15-,16+/m0/s1
InChIKeyOKSHSYZANJEHNU-JKSUJKDBSA-N
XLogP2.56
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide?
The IUPAC name of N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide (CID 146424091) is N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(3S,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.
What is the InChIKey of N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide?
The InChIKey is OKSHSYZANJEHNU-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-13-9-14(2)17(20-10-13)24-12-19(4,5)18(23)21-16-7-8-22(6)11-15(16)3/h9-10,15-16H,7-8,11-12H2,1-6H3,(H,21,23)/t15-,16+/m0/s1.
What are the key properties of N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide?
N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide has a molecular weight of 333.48 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide is sourced from PubChem (CID 146424091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).