N-[4-(difluoromethoxy)phenyl]-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]propanamide

C20H27F2N3O4 — CID 42891150

IUPACN-[4-(difluoromethoxy)phenyl]-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(OC(F)F)cc1)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C20H27F2N3O4/c1-14(18(26)23-16-2-4-17(5-3-16)29-20(21)22)24-8-6-15(7-9-24)19(27)25-10-12-28-13-11-25/h2-5,14-15,20H,6-13H2,1H3,(H,23,26)
InChIKeyTYCFOBUPEJXVAG-UHFFFAOYSA-N
MW411.45 g/mol
LogP2.19
Rot. Bonds6

About N-[4-(difluoromethoxy)phenyl]-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]propanamide

N-[4-(difluoromethoxy)phenyl]-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]propanamide (PubChem CID 42891150) has the molecular formula C20H27F2N3O4 and a molecular weight of 411.45 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]propanamide
PubChem CID42891150
Molecular FormulaC20H27F2N3O4
Molecular Weight411.45 g/mol
Exact Mass411.20
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(OC(F)F)cc1)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C20H27F2N3O4/c1-14(18(26)23-16-2-4-17(5-3-16)29-20(21)22)24-8-6-15(7-9-24)19(27)25-10-12-28-13-11-25/h2-5,14-15,20H,6-13H2,1H3,(H,23,26)
InChIKeyTYCFOBUPEJXVAG-UHFFFAOYSA-N
XLogP2.19
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111114132
2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 42889908
N-(4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide
CID 42927379
N-[4-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
CID 86906751
N-(4-ethoxyphenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]propanamide
CID 55511224
1-[1-[4-(difluoromethoxy)anilino]-1-oxopropan-2-yl]-5-methylpiperidine-3-carboxylic acid
CID 122121672
(2R)-N-[4-(difluoromethoxy)phenyl]-2-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propanamide
CID 98761137
N-[4-(difluoromethoxy)phenyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide
CID 46632003
1-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119907916
1-[1-[(2S)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 94878702
(2R)-N-[4-(difluoromethoxy)phenyl]-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanamide
CID 100611911
N-[4-(difluoromethoxy)phenyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide
CID 86932277

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]propanamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]propanamide (CID 42891150) is N-[4-(difluoromethoxy)phenyl]-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]propanamide is CC(C(=O)Nc1ccc(OC(F)F)cc1)N1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]propanamide?
The InChIKey is TYCFOBUPEJXVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2N3O4/c1-14(18(26)23-16-2-4-17(5-3-16)29-20(21)22)24-8-6-15(7-9-24)19(27)25-10-12-28-13-11-25/h2-5,14-15,20H,6-13H2,1H3,(H,23,26).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]propanamide?
N-[4-(difluoromethoxy)phenyl]-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]propanamide has a molecular weight of 411.45 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 42891150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).