N-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]-2,4,6-trifluorophenyl]propanamide

C31H34F3N3O2 — CID 142926195

IUPACN-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]-2,4,6-trifluorophenyl]propanamide
SMILESCCC(=O)Nc1c(F)cc(F)c(C2CCN(CCCNC(=O)C(c3ccccc3)c3ccccc3)CC2)c1F
InChIInChI=1S/C31H34F3N3O2/c1-2-26(38)36-30-25(33)20-24(32)28(29(30)34)23-14-18-37(19-15-23)17-9-16-35-31(39)27(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-8,10-13,20,23,27H,2,9,14-19H2,1H3,(H,35,39)(H,36,38)
InChIKeyPOCKJDPUKXJZHJ-UHFFFAOYSA-N
MW537.63 g/mol
LogP5.97
Rot. Bonds10

About N-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]-2,4,6-trifluorophenyl]propanamide

N-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]-2,4,6-trifluorophenyl]propanamide (PubChem CID 142926195) has the molecular formula C31H34F3N3O2 and a molecular weight of 537.63 g/mol. Its IUPAC name is N-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]-2,4,6-trifluorophenyl]propanamide.

Molecular Properties

Compound NameN-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]-2,4,6-trifluorophenyl]propanamide
PubChem CID142926195
Molecular FormulaC31H34F3N3O2
Molecular Weight537.63 g/mol
Exact Mass537.26
IUPAC NameN-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]-2,4,6-trifluorophenyl]propanamide
SMILESCCC(=O)Nc1c(F)cc(F)c(C2CCN(CCCNC(=O)C(c3ccccc3)c3ccccc3)CC2)c1F
InChIInChI=1S/C31H34F3N3O2/c1-2-26(38)36-30-25(33)20-24(32)28(29(30)34)23-14-18-37(19-15-23)17-9-16-35-31(39)27(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-8,10-13,20,23,27H,2,9,14-19H2,1H3,(H,35,39)(H,36,38)
InChIKeyPOCKJDPUKXJZHJ-UHFFFAOYSA-N
XLogP5.97
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.63
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[1-[6-[(2,2-diphenylacetyl)amino]hexyl]piperidin-4-yl]phenyl]propanamide
CID 142203741
N-[3-(4-benzylpiperidin-1-yl)propyl]-2,2-bis(4-chlorophenyl)acetamide
CID 122188500
2,2-bis(4-chlorophenyl)-N-[3-[4-(2-methylphenyl)piperidin-1-yl]propyl]acetamide
CID 141092531
benzyl-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]phenyl]carbamic acid
CID 69192330
2-[(2,2-diphenylacetyl)amino]-4-methyl-N-[1-(3-morpholin-4-ylpropylamino)-1-oxobutan-2-yl]pentanamide
CID 11512168
(2R)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methoxy-2-phenylacetamide
CID 110021427
N-[3-[1-[3-[[2,2-bis(4-chlorophenyl)acetyl]amino]propyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide;N-[5-[1-[3-[[2,2-bis(4-fluorophenyl)acetyl]amino]propyl]piperidin-4-yl]-2,4-difluorophenyl]-2-methylpropanamide;N-[3-[1-[3-[[2,2-bis(4-fluorophenyl)acetyl]amino]propyl]piperidin-4-yl]-4-fluorophenyl]-2-methylpropanamide
CID 158942124
6-(3,4-difluorophenyl)-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-oxo-3-(1-phenylethyl)-1,3-diazinane-1-carboxamide
CID 20709294
(E)-but-2-enedioic acid;N-[3-[4-[2-(1-methoxypropyl)phenyl]piperazin-1-yl]propyl]-2,2-diphenylacetamide
CID 162332739
(6S)-6-(3,4-difluorophenyl)-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-oxo-3-[(1R)-1-phenylethyl]-1,3-diazinane-1-carboxamide;hydrochloride
CID 70237886
N-(3-aminopropyl)-2,2-diphenylacetamide
CID 10539859
N-[3-[1-[3-(1-anilinoethenylamino)propyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 89383026

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]-2,4,6-trifluorophenyl]propanamide?
The IUPAC name of N-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]-2,4,6-trifluorophenyl]propanamide (CID 142926195) is N-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]-2,4,6-trifluorophenyl]propanamide.
What is the SMILES notation for N-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]-2,4,6-trifluorophenyl]propanamide?
The canonical SMILES for N-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]-2,4,6-trifluorophenyl]propanamide is CCC(=O)Nc1c(F)cc(F)c(C2CCN(CCCNC(=O)C(c3ccccc3)c3ccccc3)CC2)c1F.
What is the InChIKey of N-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]-2,4,6-trifluorophenyl]propanamide?
The InChIKey is POCKJDPUKXJZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34F3N3O2/c1-2-26(38)36-30-25(33)20-24(32)28(29(30)34)23-14-18-37(19-15-23)17-9-16-35-31(39)27(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-8,10-13,20,23,27H,2,9,14-19H2,1H3,(H,35,39)(H,36,38).
What are the key properties of N-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]-2,4,6-trifluorophenyl]propanamide?
N-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]-2,4,6-trifluorophenyl]propanamide has a molecular weight of 537.63 g/mol, XLogP of 5.97, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]-2,4,6-trifluorophenyl]propanamide is sourced from PubChem (CID 142926195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).