3,5-difluoro-4-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]benzonitrile

C18H21F2N3O2 — CID 51101987

IUPAC3,5-difluoro-4-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]benzonitrile
SMILESN#Cc1cc(F)c(N2CCC(CC(=O)N3CCOCC3)CC2)c(F)c1
InChIInChI=1S/C18H21F2N3O2/c19-15-9-14(12-21)10-16(20)18(15)23-3-1-13(2-4-23)11-17(24)22-5-7-25-8-6-22/h9-10,13H,1-8,11H2
InChIKeyBVQDDDQDIFRGJP-UHFFFAOYSA-N
MW349.38 g/mol
LogP2.30
Rot. Bonds3

About 3,5-difluoro-4-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]benzonitrile

3,5-difluoro-4-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]benzonitrile (PubChem CID 51101987) has the molecular formula C18H21F2N3O2 and a molecular weight of 349.38 g/mol. Its IUPAC name is 3,5-difluoro-4-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]benzonitrile.

Molecular Properties

Compound Name3,5-difluoro-4-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]benzonitrile
PubChem CID51101987
Molecular FormulaC18H21F2N3O2
Molecular Weight349.38 g/mol
Exact Mass349.16
IUPAC Name3,5-difluoro-4-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]benzonitrile
SMILESN#Cc1cc(F)c(N2CCC(CC(=O)N3CCOCC3)CC2)c(F)c1
InChIInChI=1S/C18H21F2N3O2/c19-15-9-14(12-21)10-16(20)18(15)23-3-1-13(2-4-23)11-17(24)22-5-7-25-8-6-22/h9-10,13H,1-8,11H2
InChIKeyBVQDDDQDIFRGJP-UHFFFAOYSA-N
XLogP2.30
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 172899467
3,5-difluoro-4-(4-formylpiperidin-1-yl)benzonitrile
CID 81285282
3,5-difluoro-4-[3-(hydroxymethyl)pyrrolidin-1-yl]benzonitrile
CID 78998796
4-(4-ethylazepan-1-yl)-3,5-difluorobenzonitrile
CID 78992299
1-(4-cyano-2,6-difluorophenyl)-N-ethylpiperidine-4-carboxamide
CID 167966784
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]quinoline-4-carbonitrile
CID 172901791
3,5-difluoro-4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]benzonitrile
CID 51101953
2-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172899893
1-(4-cyano-2,6-difluorophenyl)-4-ethylpiperidine-4-carboxylic acid
CID 81285251
2-[1-(6-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172901359
2-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172899457
ethyl 4-(4-cyano-2,6-difluorophenyl)piperazine-1-carboxylate
CID 60602596

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]benzonitrile?
The IUPAC name of 3,5-difluoro-4-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]benzonitrile (CID 51101987) is 3,5-difluoro-4-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]benzonitrile.
What is the SMILES notation for 3,5-difluoro-4-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]benzonitrile?
The canonical SMILES for 3,5-difluoro-4-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]benzonitrile is N#Cc1cc(F)c(N2CCC(CC(=O)N3CCOCC3)CC2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]benzonitrile?
The InChIKey is BVQDDDQDIFRGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O2/c19-15-9-14(12-21)10-16(20)18(15)23-3-1-13(2-4-23)11-17(24)22-5-7-25-8-6-22/h9-10,13H,1-8,11H2.
What are the key properties of 3,5-difluoro-4-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]benzonitrile?
3,5-difluoro-4-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]benzonitrile has a molecular weight of 349.38 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]benzonitrile is sourced from PubChem (CID 51101987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).