piperidin-1-yl-[4-(12,12,12-trifluorododecylamino)phenyl]methanone

C24H37F3N2O — CID 20549334

IUPACpiperidin-1-yl-[4-(12,12,12-trifluorododecylamino)phenyl]methanone
SMILESO=C(c1ccc(NCCCCCCCCCCCC(F)(F)F)cc1)N1CCCCC1
InChIInChI=1S/C24H37F3N2O/c25-24(26,27)17-9-6-4-2-1-3-5-7-10-18-28-22-15-13-21(14-16-22)23(30)29-19-11-8-12-20-29/h13-16,28H,1-12,17-20H2
InChIKeyRUHSBZUKXDEXLC-UHFFFAOYSA-N
MW426.57 g/mol
LogP7.19
Rot. Bonds13

About piperidin-1-yl-[4-(12,12,12-trifluorododecylamino)phenyl]methanone

piperidin-1-yl-[4-(12,12,12-trifluorododecylamino)phenyl]methanone (PubChem CID 20549334) has the molecular formula C24H37F3N2O and a molecular weight of 426.57 g/mol. Its IUPAC name is piperidin-1-yl-[4-(12,12,12-trifluorododecylamino)phenyl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[4-(12,12,12-trifluorododecylamino)phenyl]methanone
PubChem CID20549334
Molecular FormulaC24H37F3N2O
Molecular Weight426.57 g/mol
Exact Mass426.29
IUPAC Namepiperidin-1-yl-[4-(12,12,12-trifluorododecylamino)phenyl]methanone
SMILESO=C(c1ccc(NCCCCCCCCCCCC(F)(F)F)cc1)N1CCCCC1
InChIInChI=1S/C24H37F3N2O/c25-24(26,27)17-9-6-4-2-1-3-5-7-10-18-28-22-15-13-21(14-16-22)23(30)29-19-11-8-12-20-29/h13-16,28H,1-12,17-20H2
InChIKeyRUHSBZUKXDEXLC-UHFFFAOYSA-N
XLogP7.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.57
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

pyrrolidin-1-yl-[4-(16,16,16-trifluorohexadecylamino)phenyl]methanone
CID 20549338
4-(13,13,13-trifluorotridecylamino)benzoic acid
CID 20549414
4-(16,16,16-trifluorohexadecylamino)benzoyl chloride;hydrochloride
CID 20549317
N-[4-(azepane-1-carbonyl)phenyl]-3,3,3-trifluoropropanamide
CID 47063386
[4-(pentadeca-4,14-dienylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 54393757
1-(azepan-1-yl)-2-[4-(piperidine-1-carbonyl)anilino]ethanone
CID 54841440
4-oxo-4-[4-(16,16,16-trifluorohexadecylamino)phenyl]butanoic acid
CID 20549352
N-hexadecyl-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54835268
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
N,N'-bis[4-(piperidine-1-carbonyl)phenyl]nonanediamide
CID 43878316
[4-(hydroxyamino)phenyl]-piperidin-1-ylmethanone
CID 155525147
2,2,2-trifluoro-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 62491616

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[4-(12,12,12-trifluorododecylamino)phenyl]methanone?
The IUPAC name of piperidin-1-yl-[4-(12,12,12-trifluorododecylamino)phenyl]methanone (CID 20549334) is piperidin-1-yl-[4-(12,12,12-trifluorododecylamino)phenyl]methanone.
What is the SMILES notation for piperidin-1-yl-[4-(12,12,12-trifluorododecylamino)phenyl]methanone?
The canonical SMILES for piperidin-1-yl-[4-(12,12,12-trifluorododecylamino)phenyl]methanone is O=C(c1ccc(NCCCCCCCCCCCC(F)(F)F)cc1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[4-(12,12,12-trifluorododecylamino)phenyl]methanone?
The InChIKey is RUHSBZUKXDEXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37F3N2O/c25-24(26,27)17-9-6-4-2-1-3-5-7-10-18-28-22-15-13-21(14-16-22)23(30)29-19-11-8-12-20-29/h13-16,28H,1-12,17-20H2.
What are the key properties of piperidin-1-yl-[4-(12,12,12-trifluorododecylamino)phenyl]methanone?
piperidin-1-yl-[4-(12,12,12-trifluorododecylamino)phenyl]methanone has a molecular weight of 426.57 g/mol, XLogP of 7.19, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[4-(12,12,12-trifluorododecylamino)phenyl]methanone is sourced from PubChem (CID 20549334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).