N-[1-[4-[4-(3-cyanophenyl)phenyl]piperidin-4-yl]-2-cyclopropylethyl]-2-(3,5-difluorophenyl)acetamide

C31H31F2N3O — CID 22490348

IUPACN-[1-[4-[4-(3-cyanophenyl)phenyl]piperidin-4-yl]-2-cyclopropylethyl]-2-(3,5-difluorophenyl)acetamide
SMILESN#Cc1cccc(-c2ccc(C3(C(CC4CC4)NC(=O)Cc4cc(F)cc(F)c4)CCNCC3)cc2)c1
InChIInChI=1S/C31H31F2N3O/c32-27-15-23(16-28(33)19-27)18-30(37)36-29(17-21-4-5-21)31(10-12-35-13-11-31)26-8-6-24(7-9-26)25-3-1-2-22(14-25)20-34/h1-3,6-9,14-16,19,21,29,35H,4-5,10-13,17-18H2,(H,36,37)
InChIKeyQGLATENGMOFDNE-UHFFFAOYSA-N
MW499.61 g/mol
LogP5.65
Rot. Bonds8

About N-[1-[4-[4-(3-cyanophenyl)phenyl]piperidin-4-yl]-2-cyclopropylethyl]-2-(3,5-difluorophenyl)acetamide

N-[1-[4-[4-(3-cyanophenyl)phenyl]piperidin-4-yl]-2-cyclopropylethyl]-2-(3,5-difluorophenyl)acetamide (PubChem CID 22490348) has the molecular formula C31H31F2N3O and a molecular weight of 499.61 g/mol. Its IUPAC name is N-[1-[4-[4-(3-cyanophenyl)phenyl]piperidin-4-yl]-2-cyclopropylethyl]-2-(3,5-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-[1-[4-[4-(3-cyanophenyl)phenyl]piperidin-4-yl]-2-cyclopropylethyl]-2-(3,5-difluorophenyl)acetamide
PubChem CID22490348
Molecular FormulaC31H31F2N3O
Molecular Weight499.61 g/mol
Exact Mass499.24
IUPAC NameN-[1-[4-[4-(3-cyanophenyl)phenyl]piperidin-4-yl]-2-cyclopropylethyl]-2-(3,5-difluorophenyl)acetamide
SMILESN#Cc1cccc(-c2ccc(C3(C(CC4CC4)NC(=O)Cc4cc(F)cc(F)c4)CCNCC3)cc2)c1
InChIInChI=1S/C31H31F2N3O/c32-27-15-23(16-28(33)19-27)18-30(37)36-29(17-21-4-5-21)31(10-12-35-13-11-31)26-8-6-24(7-9-26)25-3-1-2-22(14-25)20-34/h1-3,6-9,14-16,19,21,29,35H,4-5,10-13,17-18H2,(H,36,37)
InChIKeyQGLATENGMOFDNE-UHFFFAOYSA-N
XLogP5.65
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.61
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[4-(3-cyanophenyl)phenyl]piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide
CID 20608990
1-[[4-[4-(3-cyanophenyl)phenyl]piperidin-4-yl]methyl]-3-(3,5-dichlorophenyl)urea
CID 70906882
2-methylpropyl N-[[4-[4-(3-cyanophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]methyl]carbamate
CID 20779461
(2S)-N-[(1S)-1-cyano-2-[4-(3-cyanophenyl)phenyl]ethyl]azetidine-2-carboxamide
CID 42641781
2-[[4-[4-(3-cyanophenyl)phenyl]-1-hexan-3-ylpiperidin-4-yl]amino]-N-(3,5-difluorophenyl)acetamide
CID 142248033
acetamide;3-[4-[1-(cyclopropylmethyl)-4-ethenylpiperidin-4-yl]phenyl]benzonitrile;4-ethyl-1-fluoro-2-methylbenzene
CID 142247936
3-[4-[4-[[2-chloro-5-(trifluoromethyl)anilino]sulfanyloxymethyl]piperidin-4-yl]phenyl]benzonitrile
CID 142179776
3-[4-[1-(cyclopropylmethyl)-4-[[(5,6-difluoro-1H-benzimidazol-2-yl)amino]methyl]piperidin-4-yl]phenyl]benzonitrile
CID 11352484
1-[[4-[4-(3-cyanophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]methyl]-3-(3,5-dichloro-1-methylcyclohexa-2,4-dien-1-yl)urea
CID 142179817
N-[(3-cyanophenyl)methyl]-2-piperidin-3-ylacetamide
CID 62676322
2-[4-(3-cyanophenyl)phenyl]-N,N-dimethylacetamide
CID 72893749
tert-butyl 4-[[4-(3-cyanophenyl)phenyl]-[(5,6-dichloro-1H-benzimidazol-2-yl)methylamino]methyl]piperidine-1-carboxylate
CID 11365345

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[4-(3-cyanophenyl)phenyl]piperidin-4-yl]-2-cyclopropylethyl]-2-(3,5-difluorophenyl)acetamide?
The IUPAC name of N-[1-[4-[4-(3-cyanophenyl)phenyl]piperidin-4-yl]-2-cyclopropylethyl]-2-(3,5-difluorophenyl)acetamide (CID 22490348) is N-[1-[4-[4-(3-cyanophenyl)phenyl]piperidin-4-yl]-2-cyclopropylethyl]-2-(3,5-difluorophenyl)acetamide.
What is the SMILES notation for N-[1-[4-[4-(3-cyanophenyl)phenyl]piperidin-4-yl]-2-cyclopropylethyl]-2-(3,5-difluorophenyl)acetamide?
The canonical SMILES for N-[1-[4-[4-(3-cyanophenyl)phenyl]piperidin-4-yl]-2-cyclopropylethyl]-2-(3,5-difluorophenyl)acetamide is N#Cc1cccc(-c2ccc(C3(C(CC4CC4)NC(=O)Cc4cc(F)cc(F)c4)CCNCC3)cc2)c1.
What is the InChIKey of N-[1-[4-[4-(3-cyanophenyl)phenyl]piperidin-4-yl]-2-cyclopropylethyl]-2-(3,5-difluorophenyl)acetamide?
The InChIKey is QGLATENGMOFDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31F2N3O/c32-27-15-23(16-28(33)19-27)18-30(37)36-29(17-21-4-5-21)31(10-12-35-13-11-31)26-8-6-24(7-9-26)25-3-1-2-22(14-25)20-34/h1-3,6-9,14-16,19,21,29,35H,4-5,10-13,17-18H2,(H,36,37).
What are the key properties of N-[1-[4-[4-(3-cyanophenyl)phenyl]piperidin-4-yl]-2-cyclopropylethyl]-2-(3,5-difluorophenyl)acetamide?
N-[1-[4-[4-(3-cyanophenyl)phenyl]piperidin-4-yl]-2-cyclopropylethyl]-2-(3,5-difluorophenyl)acetamide has a molecular weight of 499.61 g/mol, XLogP of 5.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[4-(3-cyanophenyl)phenyl]piperidin-4-yl]-2-cyclopropylethyl]-2-(3,5-difluorophenyl)acetamide is sourced from PubChem (CID 22490348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).