(E)-N-[1-[3-(3,4-difluorophenyl)butanoyl]piperidin-4-yl]-3-phenylprop-2-enamide

C24H26F2N2O2 — CID 154856805

IUPAC(E)-N-[1-[3-(3,4-difluorophenyl)butanoyl]piperidin-4-yl]-3-phenylprop-2-enamide
SMILESCC(CC(=O)N1CCC(NC(=O)/C=C/c2ccccc2)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C24H26F2N2O2/c1-17(19-8-9-21(25)22(26)16-19)15-24(30)28-13-11-20(12-14-28)27-23(29)10-7-18-5-3-2-4-6-18/h2-10,16-17,20H,11-15H2,1H3,(H,27,29)/b10-7+
InChIKeyGQPHWVUCECAQAJ-JXMROGBWSA-N
MW412.48 g/mol
LogP4.28
Rot. Bonds6

About (E)-N-[1-[3-(3,4-difluorophenyl)butanoyl]piperidin-4-yl]-3-phenylprop-2-enamide

(E)-N-[1-[3-(3,4-difluorophenyl)butanoyl]piperidin-4-yl]-3-phenylprop-2-enamide (PubChem CID 154856805) has the molecular formula C24H26F2N2O2 and a molecular weight of 412.48 g/mol. Its IUPAC name is (E)-N-[1-[3-(3,4-difluorophenyl)butanoyl]piperidin-4-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-[3-(3,4-difluorophenyl)butanoyl]piperidin-4-yl]-3-phenylprop-2-enamide
PubChem CID154856805
Molecular FormulaC24H26F2N2O2
Molecular Weight412.48 g/mol
Exact Mass412.20
IUPAC Name(E)-N-[1-[3-(3,4-difluorophenyl)butanoyl]piperidin-4-yl]-3-phenylprop-2-enamide
SMILESCC(CC(=O)N1CCC(NC(=O)/C=C/c2ccccc2)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C24H26F2N2O2/c1-17(19-8-9-21(25)22(26)16-19)15-24(30)28-13-11-20(12-14-28)27-23(29)10-7-18-5-3-2-4-6-18/h2-10,16-17,20H,11-15H2,1H3,(H,27,29)/b10-7+
InChIKeyGQPHWVUCECAQAJ-JXMROGBWSA-N
XLogP4.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-[3-(4-chlorophenyl)-3-hydroxypropanoyl]piperidin-4-yl]-3-(3,4-difluorophenyl)butanamide
CID 154871604
(E)-3-(5-bromo-2-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]prop-2-enamide
CID 47080899
(E)-3-phenyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]prop-2-enamide
CID 108563408
(E)-3-phenyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]prop-2-enamide
CID 127179670
N-(1-acetylpiperidin-4-yl)-3-(3-fluorophenyl)prop-2-enamide
CID 71901760
1-[4-(methylamino)piperidin-1-yl]-3-phenylbutan-1-one;hydrochloride
CID 119561474
(E)-N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide
CID 108566451
(E)-N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide
CID 108564948
N-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)prop-2-enamide
CID 71901761
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
ethyl 4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]piperidine-1-carboxylate
CID 31542176
4-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]-N-phenylpiperidine-1-carboxamide
CID 17476363

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-[3-(3,4-difluorophenyl)butanoyl]piperidin-4-yl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[1-[3-(3,4-difluorophenyl)butanoyl]piperidin-4-yl]-3-phenylprop-2-enamide (CID 154856805) is (E)-N-[1-[3-(3,4-difluorophenyl)butanoyl]piperidin-4-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[1-[3-(3,4-difluorophenyl)butanoyl]piperidin-4-yl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[1-[3-(3,4-difluorophenyl)butanoyl]piperidin-4-yl]-3-phenylprop-2-enamide is CC(CC(=O)N1CCC(NC(=O)/C=C/c2ccccc2)CC1)c1ccc(F)c(F)c1.
What is the InChIKey of (E)-N-[1-[3-(3,4-difluorophenyl)butanoyl]piperidin-4-yl]-3-phenylprop-2-enamide?
The InChIKey is GQPHWVUCECAQAJ-JXMROGBWSA-N. The full InChI is InChI=1S/C24H26F2N2O2/c1-17(19-8-9-21(25)22(26)16-19)15-24(30)28-13-11-20(12-14-28)27-23(29)10-7-18-5-3-2-4-6-18/h2-10,16-17,20H,11-15H2,1H3,(H,27,29)/b10-7+.
What are the key properties of (E)-N-[1-[3-(3,4-difluorophenyl)butanoyl]piperidin-4-yl]-3-phenylprop-2-enamide?
(E)-N-[1-[3-(3,4-difluorophenyl)butanoyl]piperidin-4-yl]-3-phenylprop-2-enamide has a molecular weight of 412.48 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-[3-(3,4-difluorophenyl)butanoyl]piperidin-4-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 154856805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).