1-[(E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoyl]piperidine-4-carboxamide

C18H28N2O2 — CID 166634968

IUPAC1-[(E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoyl]piperidine-4-carboxamide
SMILESCC1=C(/C=C/C(=O)N2CCC(C(N)=O)CC2)C(C)(C)CCC1
InChIInChI=1S/C18H28N2O2/c1-13-5-4-10-18(2,3)15(13)6-7-16(21)20-11-8-14(9-12-20)17(19)22/h6-7,14H,4-5,8-12H2,1-3H3,(H2,19,22)/b7-6+
InChIKeyREFYUGHNAOHCPC-VOTSOKGWSA-N
MW304.43 g/mol
LogP2.79
Rot. Bonds3

About 1-[(E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoyl]piperidine-4-carboxamide

1-[(E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoyl]piperidine-4-carboxamide (PubChem CID 166634968) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-[(E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoyl]piperidine-4-carboxamide
PubChem CID166634968
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-[(E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoyl]piperidine-4-carboxamide
SMILESCC1=C(/C=C/C(=O)N2CCC(C(N)=O)CC2)C(C)(C)CCC1
InChIInChI=1S/C18H28N2O2/c1-13-5-4-10-18(2,3)15(13)6-7-16(21)20-11-8-14(9-12-20)17(19)22/h6-7,14H,4-5,8-12H2,1-3H3,(H2,19,22)/b7-6+
InChIKeyREFYUGHNAOHCPC-VOTSOKGWSA-N
XLogP2.79
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.79
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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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoyl]piperidine-4-carboxamide (CID 166634968) is 1-[(E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoyl]piperidine-4-carboxamide is CC1=C(/C=C/C(=O)N2CCC(C(N)=O)CC2)C(C)(C)CCC1.
What is the InChIKey of 1-[(E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoyl]piperidine-4-carboxamide?
The InChIKey is REFYUGHNAOHCPC-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13-5-4-10-18(2,3)15(13)6-7-16(21)20-11-8-14(9-12-20)17(19)22/h6-7,14H,4-5,8-12H2,1-3H3,(H2,19,22)/b7-6+.
What are the key properties of 1-[(E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoyl]piperidine-4-carboxamide?
1-[(E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoyl]piperidine-4-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoyl]piperidine-4-carboxamide is sourced from PubChem (CID 166634968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).