N-phenyl-2-piperidin-1-yl-N-[1-(3,4,5-trifluoro-2-methoxybenzoyl)piperidin-4-yl]acetamide

C26H30F3N3O3 — CID 24852714

IUPACN-phenyl-2-piperidin-1-yl-N-[1-(3,4,5-trifluoro-2-methoxybenzoyl)piperidin-4-yl]acetamide
SMILESCOc1c(C(=O)N2CCC(N(C(=O)CN3CCCCC3)c3ccccc3)CC2)cc(F)c(F)c1F
InChIInChI=1S/C26H30F3N3O3/c1-35-25-20(16-21(27)23(28)24(25)29)26(34)31-14-10-19(11-15-31)32(18-8-4-2-5-9-18)22(33)17-30-12-6-3-7-13-30/h2,4-5,8-9,16,19H,3,6-7,10-15,17H2,1H3
InChIKeyUYTRNVLCEDCCHM-UHFFFAOYSA-N
MW489.54 g/mol
LogP4.24
Rot. Bonds6

About N-phenyl-2-piperidin-1-yl-N-[1-(3,4,5-trifluoro-2-methoxybenzoyl)piperidin-4-yl]acetamide

N-phenyl-2-piperidin-1-yl-N-[1-(3,4,5-trifluoro-2-methoxybenzoyl)piperidin-4-yl]acetamide (PubChem CID 24852714) has the molecular formula C26H30F3N3O3 and a molecular weight of 489.54 g/mol. Its IUPAC name is N-phenyl-2-piperidin-1-yl-N-[1-(3,4,5-trifluoro-2-methoxybenzoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-phenyl-2-piperidin-1-yl-N-[1-(3,4,5-trifluoro-2-methoxybenzoyl)piperidin-4-yl]acetamide
PubChem CID24852714
Molecular FormulaC26H30F3N3O3
Molecular Weight489.54 g/mol
Exact Mass489.22
IUPAC NameN-phenyl-2-piperidin-1-yl-N-[1-(3,4,5-trifluoro-2-methoxybenzoyl)piperidin-4-yl]acetamide
SMILESCOc1c(C(=O)N2CCC(N(C(=O)CN3CCCCC3)c3ccccc3)CC2)cc(F)c(F)c1F
InChIInChI=1S/C26H30F3N3O3/c1-35-25-20(16-21(27)23(28)24(25)29)26(34)31-14-10-19(11-15-31)32(18-8-4-2-5-9-18)22(33)17-30-12-6-3-7-13-30/h2,4-5,8-9,16,19H,3,6-7,10-15,17H2,1H3
InChIKeyUYTRNVLCEDCCHM-UHFFFAOYSA-N
XLogP4.24
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.54
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-[2-(N-cyclohexylanilino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid
CID 122121628
N-cyclohexyl-N-phenyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid
CID 175285258
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-phenyl-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
CID 68518001
N-phenyl-2-pyrrolidin-1-yl-N-(1,2,5-trimethylpiperidin-4-yl)acetamide
CID 12661629
2-[(3S)-1-(3-fluoro-2-methoxybenzoyl)pyrrolidin-3-yl]benzoic acid
CID 95722755
2-[4-(1,3-dioxoisoindol-2-yl)piperidin-1-yl]-N-phenyl-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
CID 68516902
4-methyl-5-phenyl-3-[1-(2,4,5-trifluoro-3-methoxybenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3869157
N-cyclohexyl-2-(3-oxopiperazin-1-yl)-N-phenylacetamide
CID 8962755
1-(azepan-1-yl)-2-[4-(2-fluoro-4-methoxybenzoyl)piperazin-1-yl]ethanone
CID 86911352
2-[4-(2-cyclopropylquinoline-4-carbonyl)piperazin-1-yl]-N,N-diethylacetamide
CID 39488256
(3,4-difluoro-2-methoxyphenyl)-morpholin-4-ylmethanone
CID 164512719
[4-(dimethylamino)azepan-1-yl]-(2-methoxyquinolin-4-yl)methanone
CID 56887327

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-piperidin-1-yl-N-[1-(3,4,5-trifluoro-2-methoxybenzoyl)piperidin-4-yl]acetamide?
The IUPAC name of N-phenyl-2-piperidin-1-yl-N-[1-(3,4,5-trifluoro-2-methoxybenzoyl)piperidin-4-yl]acetamide (CID 24852714) is N-phenyl-2-piperidin-1-yl-N-[1-(3,4,5-trifluoro-2-methoxybenzoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-phenyl-2-piperidin-1-yl-N-[1-(3,4,5-trifluoro-2-methoxybenzoyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-phenyl-2-piperidin-1-yl-N-[1-(3,4,5-trifluoro-2-methoxybenzoyl)piperidin-4-yl]acetamide is COc1c(C(=O)N2CCC(N(C(=O)CN3CCCCC3)c3ccccc3)CC2)cc(F)c(F)c1F.
What is the InChIKey of N-phenyl-2-piperidin-1-yl-N-[1-(3,4,5-trifluoro-2-methoxybenzoyl)piperidin-4-yl]acetamide?
The InChIKey is UYTRNVLCEDCCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F3N3O3/c1-35-25-20(16-21(27)23(28)24(25)29)26(34)31-14-10-19(11-15-31)32(18-8-4-2-5-9-18)22(33)17-30-12-6-3-7-13-30/h2,4-5,8-9,16,19H,3,6-7,10-15,17H2,1H3.
What are the key properties of N-phenyl-2-piperidin-1-yl-N-[1-(3,4,5-trifluoro-2-methoxybenzoyl)piperidin-4-yl]acetamide?
N-phenyl-2-piperidin-1-yl-N-[1-(3,4,5-trifluoro-2-methoxybenzoyl)piperidin-4-yl]acetamide has a molecular weight of 489.54 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-piperidin-1-yl-N-[1-(3,4,5-trifluoro-2-methoxybenzoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 24852714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).