1-[(Z)-3-(4-tert-butylphenyl)prop-2-enoyl]piperidine-4-carboxamide

C19H26N2O2 — CID 2176419

IUPAC1-[(Z)-3-(4-tert-butylphenyl)prop-2-enoyl]piperidine-4-carboxamide
SMILESCC(C)(C)c1ccc(/C=C\C(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C19H26N2O2/c1-19(2,3)16-7-4-14(5-8-16)6-9-17(22)21-12-10-15(11-13-21)18(20)23/h4-9,15H,10-13H2,1-3H3,(H2,20,23)/b9-6-
InChIKeyLVNAYUGSGHWGDK-TWGQIWQCSA-N
MW314.43 g/mol
LogP2.72
Rot. Bonds3

About 1-[(Z)-3-(4-tert-butylphenyl)prop-2-enoyl]piperidine-4-carboxamide

1-[(Z)-3-(4-tert-butylphenyl)prop-2-enoyl]piperidine-4-carboxamide (PubChem CID 2176419) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[(Z)-3-(4-tert-butylphenyl)prop-2-enoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(Z)-3-(4-tert-butylphenyl)prop-2-enoyl]piperidine-4-carboxamide
PubChem CID2176419
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name1-[(Z)-3-(4-tert-butylphenyl)prop-2-enoyl]piperidine-4-carboxamide
SMILESCC(C)(C)c1ccc(/C=C\C(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C19H26N2O2/c1-19(2,3)16-7-4-14(5-8-16)6-9-17(22)21-12-10-15(11-13-21)18(20)23/h4-9,15H,10-13H2,1-3H3,(H2,20,23)/b9-6-
InChIKeyLVNAYUGSGHWGDK-TWGQIWQCSA-N
XLogP2.72
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.72
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

1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 846355
ethyl 1-[3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]piperidine-4-carboxylate
CID 102603299
3-(4-tert-butylphenyl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one
CID 1320699
(E)-3-(4-tert-butylphenyl)-1-(4-methyl-1,4-diazepan-1-yl)prop-2-en-1-one
CID 17164887
1-[(E)-3-(4-methylphenyl)prop-2-enoyl]piperidine-4-carboxylic acid
CID 43238979
1-[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]piperidine-4-carboxamide
CID 30880354
1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxamide
CID 51163837
(E)-3-(4-tert-butylphenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]prop-2-en-1-one
CID 1294041
1-but-2-enoylpiperidine-4-carboxamide
CID 78907164
(E)-3-(4-tert-butylphenyl)prop-2-enamide
CID 47130646
(3S)-1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]pyrrolidine-3-carboxamide
CID 95139544
3-(4-tert-butylphenyl)-1-[4-[3-(4-tert-butylphenyl)prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one
CID 4517918

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-3-(4-tert-butylphenyl)prop-2-enoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(Z)-3-(4-tert-butylphenyl)prop-2-enoyl]piperidine-4-carboxamide (CID 2176419) is 1-[(Z)-3-(4-tert-butylphenyl)prop-2-enoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(Z)-3-(4-tert-butylphenyl)prop-2-enoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(Z)-3-(4-tert-butylphenyl)prop-2-enoyl]piperidine-4-carboxamide is CC(C)(C)c1ccc(/C=C\C(=O)N2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-[(Z)-3-(4-tert-butylphenyl)prop-2-enoyl]piperidine-4-carboxamide?
The InChIKey is LVNAYUGSGHWGDK-TWGQIWQCSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-19(2,3)16-7-4-14(5-8-16)6-9-17(22)21-12-10-15(11-13-21)18(20)23/h4-9,15H,10-13H2,1-3H3,(H2,20,23)/b9-6-.
What are the key properties of 1-[(Z)-3-(4-tert-butylphenyl)prop-2-enoyl]piperidine-4-carboxamide?
1-[(Z)-3-(4-tert-butylphenyl)prop-2-enoyl]piperidine-4-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3-(4-tert-butylphenyl)prop-2-enoyl]piperidine-4-carboxamide is sourced from PubChem (CID 2176419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).