N-[5-[4-(difluoromethyl)phenyl]-1-(morpholine-4-carbonyl)piperidin-3-yl]-2,2-dimethylpropanamide

C22H31F2N3O3 — CID 70854677

IUPACN-[5-[4-(difluoromethyl)phenyl]-1-(morpholine-4-carbonyl)piperidin-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CC(c2ccc(C(F)F)cc2)CN(C(=O)N2CCOCC2)C1
InChIInChI=1S/C22H31F2N3O3/c1-22(2,3)20(28)25-18-12-17(15-4-6-16(7-5-15)19(23)24)13-27(14-18)21(29)26-8-10-30-11-9-26/h4-7,17-19H,8-14H2,1-3H3,(H,25,28)
InChIKeyLIRPZQAXOLEDGE-UHFFFAOYSA-N
MW423.50 g/mol
LogP3.40
Rot. Bonds3

About N-[5-[4-(difluoromethyl)phenyl]-1-(morpholine-4-carbonyl)piperidin-3-yl]-2,2-dimethylpropanamide

N-[5-[4-(difluoromethyl)phenyl]-1-(morpholine-4-carbonyl)piperidin-3-yl]-2,2-dimethylpropanamide (PubChem CID 70854677) has the molecular formula C22H31F2N3O3 and a molecular weight of 423.50 g/mol. Its IUPAC name is N-[5-[4-(difluoromethyl)phenyl]-1-(morpholine-4-carbonyl)piperidin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-[4-(difluoromethyl)phenyl]-1-(morpholine-4-carbonyl)piperidin-3-yl]-2,2-dimethylpropanamide
PubChem CID70854677
Molecular FormulaC22H31F2N3O3
Molecular Weight423.50 g/mol
Exact Mass423.23
IUPAC NameN-[5-[4-(difluoromethyl)phenyl]-1-(morpholine-4-carbonyl)piperidin-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CC(c2ccc(C(F)F)cc2)CN(C(=O)N2CCOCC2)C1
InChIInChI=1S/C22H31F2N3O3/c1-22(2,3)20(28)25-18-12-17(15-4-6-16(7-5-15)19(23)24)13-27(14-18)21(29)26-8-10-30-11-9-26/h4-7,17-19H,8-14H2,1-3H3,(H,25,28)
InChIKeyLIRPZQAXOLEDGE-UHFFFAOYSA-N
XLogP3.40
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(difluoromethyl)phenyl]-1-(morpholine-4-carbonyl)piperidin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-[4-(difluoromethyl)phenyl]-1-(morpholine-4-carbonyl)piperidin-3-yl]-2,2-dimethylpropanamide (CID 70854677) is N-[5-[4-(difluoromethyl)phenyl]-1-(morpholine-4-carbonyl)piperidin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-[4-(difluoromethyl)phenyl]-1-(morpholine-4-carbonyl)piperidin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-[4-(difluoromethyl)phenyl]-1-(morpholine-4-carbonyl)piperidin-3-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC1CC(c2ccc(C(F)F)cc2)CN(C(=O)N2CCOCC2)C1.
What is the InChIKey of N-[5-[4-(difluoromethyl)phenyl]-1-(morpholine-4-carbonyl)piperidin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is LIRPZQAXOLEDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31F2N3O3/c1-22(2,3)20(28)25-18-12-17(15-4-6-16(7-5-15)19(23)24)13-27(14-18)21(29)26-8-10-30-11-9-26/h4-7,17-19H,8-14H2,1-3H3,(H,25,28).
What are the key properties of N-[5-[4-(difluoromethyl)phenyl]-1-(morpholine-4-carbonyl)piperidin-3-yl]-2,2-dimethylpropanamide?
N-[5-[4-(difluoromethyl)phenyl]-1-(morpholine-4-carbonyl)piperidin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 423.50 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(difluoromethyl)phenyl]-1-(morpholine-4-carbonyl)piperidin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 70854677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).