N-cyclopropyl-2,6-difluoro-4-[2-[(1S,2R)-2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide

C24H29F5N2O3 — CID 70855997

IUPACN-cyclopropyl-2,6-difluoro-4-[2-[(1S,2R)-2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide
SMILESO=C(NC1CC1)c1c(F)cc(OCC[C@@H]2C[C@@H]2C2CCN(C(=O)CCC(F)(F)F)CC2)cc1F
InChIInChI=1S/C24H29F5N2O3/c25-19-12-17(13-20(26)22(19)23(33)30-16-1-2-16)34-10-6-15-11-18(15)14-4-8-31(9-5-14)21(32)3-7-24(27,28)29/h12-16,18H,1-11H2,(H,30,33)/t15-,18-/m1/s1
InChIKeyFZYWWZFLBNGKJY-CRAIPNDOSA-N
MW488.50 g/mol
LogP4.84
Rot. Bonds9

About N-cyclopropyl-2,6-difluoro-4-[2-[(1S,2R)-2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide

N-cyclopropyl-2,6-difluoro-4-[2-[(1S,2R)-2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide (PubChem CID 70855997) has the molecular formula C24H29F5N2O3 and a molecular weight of 488.50 g/mol. Its IUPAC name is N-cyclopropyl-2,6-difluoro-4-[2-[(1S,2R)-2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2,6-difluoro-4-[2-[(1S,2R)-2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide
PubChem CID70855997
Molecular FormulaC24H29F5N2O3
Molecular Weight488.50 g/mol
Exact Mass488.21
IUPAC NameN-cyclopropyl-2,6-difluoro-4-[2-[(1S,2R)-2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide
SMILESO=C(NC1CC1)c1c(F)cc(OCC[C@@H]2C[C@@H]2C2CCN(C(=O)CCC(F)(F)F)CC2)cc1F
InChIInChI=1S/C24H29F5N2O3/c25-19-12-17(13-20(26)22(19)23(33)30-16-1-2-16)34-10-6-15-11-18(15)14-4-8-31(9-5-14)21(32)3-7-24(27,28)29/h12-16,18H,1-11H2,(H,30,33)/t15-,18-/m1/s1
InChIKeyFZYWWZFLBNGKJY-CRAIPNDOSA-N
XLogP4.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.50
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2,6-difluoro-4-[2-[2-(1-methylpiperidin-4-yl)cyclopropyl]ethoxy]benzamide
CID 129309849
N-cyclopropyl-2,6-difluoro-4-[2-[2-[1-(2,2,3,3,3-pentafluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide
CID 78097319
N-cyclopropyl-2-fluoro-4-[2-[(1S,2R)-2-[1-(2,2,3,3,3-pentafluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide
CID 71523060
1-[4-[2-[2-[4-(4-ethyl-5H-1,2,4-triazin-4-ium-4-yl)phenoxy]ethyl]cyclopropyl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one
CID 123487760
2-[4-[2-[2-[1-(5-ethoxypyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2,6-difluorophenyl]acetic acid
CID 123604087
4,4,4-trifluoro-1-[4-(2,4,6-trifluorophenyl)piperidin-1-yl]butan-1-one
CID 90254014
2-fluoro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549375
tert-butyl 4-[(1R,2S)-2-[2-[3-fluoro-4-(2-methoxy-2-oxoethyl)phenoxy]ethyl]cyclopropyl]piperidine-1-carboxylate;2-chloro-5-(methoxymethyl)pyrimidine;methyl 2-[2-fluoro-4-[2-[(1S,2R)-2-[1-[5-(methoxymethyl)pyrimidin-2-yl]piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetate
CID 165048098
2-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-1-(3,3-difluoroazetidin-1-yl)ethanone
CID 78116992
tert-butyl 4-[3-[4-(ethylcarbamoyl)-3,5-difluorophenoxy]propyl]piperidine-1-carboxylate
CID 59234081
1-[(3aR,8aS)-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepin-6-yl]-3-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]propan-1-one
CID 126600929
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558573

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,6-difluoro-4-[2-[(1S,2R)-2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide?
The IUPAC name of N-cyclopropyl-2,6-difluoro-4-[2-[(1S,2R)-2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide (CID 70855997) is N-cyclopropyl-2,6-difluoro-4-[2-[(1S,2R)-2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide.
What is the SMILES notation for N-cyclopropyl-2,6-difluoro-4-[2-[(1S,2R)-2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide?
The canonical SMILES for N-cyclopropyl-2,6-difluoro-4-[2-[(1S,2R)-2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide is O=C(NC1CC1)c1c(F)cc(OCC[C@@H]2C[C@@H]2C2CCN(C(=O)CCC(F)(F)F)CC2)cc1F.
What is the InChIKey of N-cyclopropyl-2,6-difluoro-4-[2-[(1S,2R)-2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide?
The InChIKey is FZYWWZFLBNGKJY-CRAIPNDOSA-N. The full InChI is InChI=1S/C24H29F5N2O3/c25-19-12-17(13-20(26)22(19)23(33)30-16-1-2-16)34-10-6-15-11-18(15)14-4-8-31(9-5-14)21(32)3-7-24(27,28)29/h12-16,18H,1-11H2,(H,30,33)/t15-,18-/m1/s1.
What are the key properties of N-cyclopropyl-2,6-difluoro-4-[2-[(1S,2R)-2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide?
N-cyclopropyl-2,6-difluoro-4-[2-[(1S,2R)-2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide has a molecular weight of 488.50 g/mol, XLogP of 4.84, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,6-difluoro-4-[2-[(1S,2R)-2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide is sourced from PubChem (CID 70855997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).