N-[1-[3-[4-(difluoromethyl)phenyl]propanoyl]piperidin-4-yl]morpholine-4-carboxamide

C20H27F2N3O3 — CID 138031579

IUPACN-[1-[3-[4-(difluoromethyl)phenyl]propanoyl]piperidin-4-yl]morpholine-4-carboxamide
SMILESO=C(CCc1ccc(C(F)F)cc1)N1CCC(NC(=O)N2CCOCC2)CC1
InChIInChI=1S/C20H27F2N3O3/c21-19(22)16-4-1-15(2-5-16)3-6-18(26)24-9-7-17(8-10-24)23-20(27)25-11-13-28-14-12-25/h1-2,4-5,17,19H,3,6-14H2,(H,23,27)
InChIKeyQAEZYGJTSCSJEX-UHFFFAOYSA-N
MW395.45 g/mol
LogP2.59
Rot. Bonds5

About N-[1-[3-[4-(difluoromethyl)phenyl]propanoyl]piperidin-4-yl]morpholine-4-carboxamide

N-[1-[3-[4-(difluoromethyl)phenyl]propanoyl]piperidin-4-yl]morpholine-4-carboxamide (PubChem CID 138031579) has the molecular formula C20H27F2N3O3 and a molecular weight of 395.45 g/mol. Its IUPAC name is N-[1-[3-[4-(difluoromethyl)phenyl]propanoyl]piperidin-4-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[3-[4-(difluoromethyl)phenyl]propanoyl]piperidin-4-yl]morpholine-4-carboxamide
PubChem CID138031579
Molecular FormulaC20H27F2N3O3
Molecular Weight395.45 g/mol
Exact Mass395.20
IUPAC NameN-[1-[3-[4-(difluoromethyl)phenyl]propanoyl]piperidin-4-yl]morpholine-4-carboxamide
SMILESO=C(CCc1ccc(C(F)F)cc1)N1CCC(NC(=O)N2CCOCC2)CC1
InChIInChI=1S/C20H27F2N3O3/c21-19(22)16-4-1-15(2-5-16)3-6-18(26)24-9-7-17(8-10-24)23-20(27)25-11-13-28-14-12-25/h1-2,4-5,17,19H,3,6-14H2,(H,23,27)
InChIKeyQAEZYGJTSCSJEX-UHFFFAOYSA-N
XLogP2.59
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide
CID 110822653
2-amino-2-(oxan-4-yl)-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 120788504
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
2-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]propanamide
CID 110822595
2,2,2-trifluoro-N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetamide
CID 108933023
N'-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]oxamide
CID 173093781
2-cyano-N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetamide
CID 108922373
tert-butyl N-[1-[3-(4-propan-2-ylphenyl)propanoyl]piperidin-4-yl]carbamate
CID 55868243
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide
CID 60543938
2,2,2-trifluoro-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 108548737
N-[1-(3-phenylpropanoyl)piperidin-4-yl]prop-2-enamide
CID 166406035
4-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide
CID 108549141

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[4-(difluoromethyl)phenyl]propanoyl]piperidin-4-yl]morpholine-4-carboxamide?
The IUPAC name of N-[1-[3-[4-(difluoromethyl)phenyl]propanoyl]piperidin-4-yl]morpholine-4-carboxamide (CID 138031579) is N-[1-[3-[4-(difluoromethyl)phenyl]propanoyl]piperidin-4-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[1-[3-[4-(difluoromethyl)phenyl]propanoyl]piperidin-4-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[1-[3-[4-(difluoromethyl)phenyl]propanoyl]piperidin-4-yl]morpholine-4-carboxamide is O=C(CCc1ccc(C(F)F)cc1)N1CCC(NC(=O)N2CCOCC2)CC1.
What is the InChIKey of N-[1-[3-[4-(difluoromethyl)phenyl]propanoyl]piperidin-4-yl]morpholine-4-carboxamide?
The InChIKey is QAEZYGJTSCSJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2N3O3/c21-19(22)16-4-1-15(2-5-16)3-6-18(26)24-9-7-17(8-10-24)23-20(27)25-11-13-28-14-12-25/h1-2,4-5,17,19H,3,6-14H2,(H,23,27).
What are the key properties of N-[1-[3-[4-(difluoromethyl)phenyl]propanoyl]piperidin-4-yl]morpholine-4-carboxamide?
N-[1-[3-[4-(difluoromethyl)phenyl]propanoyl]piperidin-4-yl]morpholine-4-carboxamide has a molecular weight of 395.45 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[4-(difluoromethyl)phenyl]propanoyl]piperidin-4-yl]morpholine-4-carboxamide is sourced from PubChem (CID 138031579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).