4-[2-[2-amino-5-ethenylidene-4-methyl-4-(2-methylpropyl)imidazol-1-yl]ethyl]-N-[2-(6-methylcyclohexa-1,3-dien-1-yl)ethyl]piperidine-1-carboxamide

C27H43N5O — CID 176533429

IUPAC4-[2-[2-amino-5-ethenylidene-4-methyl-4-(2-methylpropyl)imidazol-1-yl]ethyl]-N-[2-(6-methylcyclohexa-1,3-dien-1-yl)ethyl]piperidine-1-carboxamide
SMILESC=C=C1N(CCC2CCN(C(=O)NCCC3=CC=CCC3C)CC2)C(N)=NC1(C)CC(C)C
InChIInChI=1S/C27H43N5O/c1-6-24-27(5,19-20(2)3)30-25(28)32(24)18-14-22-12-16-31(17-13-22)26(33)29-15-11-23-10-8-7-9-21(23)4/h7-8,10,20-22H,1,9,11-19H2,2-5H3,(H2,28,30)(H,29,33)
InChIKeyKEVOSBLLKSUGJE-UHFFFAOYSA-N
MW453.68 g/mol
LogP4.81
Rot. Bonds8

About 4-[2-[2-amino-5-ethenylidene-4-methyl-4-(2-methylpropyl)imidazol-1-yl]ethyl]-N-[2-(6-methylcyclohexa-1,3-dien-1-yl)ethyl]piperidine-1-carboxamide

4-[2-[2-amino-5-ethenylidene-4-methyl-4-(2-methylpropyl)imidazol-1-yl]ethyl]-N-[2-(6-methylcyclohexa-1,3-dien-1-yl)ethyl]piperidine-1-carboxamide (PubChem CID 176533429) has the molecular formula C27H43N5O and a molecular weight of 453.68 g/mol. Its IUPAC name is 4-[2-[2-amino-5-ethenylidene-4-methyl-4-(2-methylpropyl)imidazol-1-yl]ethyl]-N-[2-(6-methylcyclohexa-1,3-dien-1-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[2-amino-5-ethenylidene-4-methyl-4-(2-methylpropyl)imidazol-1-yl]ethyl]-N-[2-(6-methylcyclohexa-1,3-dien-1-yl)ethyl]piperidine-1-carboxamide
PubChem CID176533429
Molecular FormulaC27H43N5O
Molecular Weight453.68 g/mol
Exact Mass453.35
IUPAC Name4-[2-[2-amino-5-ethenylidene-4-methyl-4-(2-methylpropyl)imidazol-1-yl]ethyl]-N-[2-(6-methylcyclohexa-1,3-dien-1-yl)ethyl]piperidine-1-carboxamide
SMILESC=C=C1N(CCC2CCN(C(=O)NCCC3=CC=CCC3C)CC2)C(N)=NC1(C)CC(C)C
InChIInChI=1S/C27H43N5O/c1-6-24-27(5,19-20(2)3)30-25(28)32(24)18-14-22-12-16-31(17-13-22)26(33)29-15-11-23-10-8-7-9-21(23)4/h7-8,10,20-22H,1,9,11-19H2,2-5H3,(H2,28,30)(H,29,33)
InChIKeyKEVOSBLLKSUGJE-UHFFFAOYSA-N
XLogP4.81
TPSA73.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.68
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-amino-5-ethenylidene-4-methyl-4-(2-methylpropyl)imidazol-1-yl]ethyl]-N-[2-(6-methylcyclohexa-1,3-dien-1-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-[2-[2-amino-5-ethenylidene-4-methyl-4-(2-methylpropyl)imidazol-1-yl]ethyl]-N-[2-(6-methylcyclohexa-1,3-dien-1-yl)ethyl]piperidine-1-carboxamide (CID 176533429) is 4-[2-[2-amino-5-ethenylidene-4-methyl-4-(2-methylpropyl)imidazol-1-yl]ethyl]-N-[2-(6-methylcyclohexa-1,3-dien-1-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-[2-amino-5-ethenylidene-4-methyl-4-(2-methylpropyl)imidazol-1-yl]ethyl]-N-[2-(6-methylcyclohexa-1,3-dien-1-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[2-[2-amino-5-ethenylidene-4-methyl-4-(2-methylpropyl)imidazol-1-yl]ethyl]-N-[2-(6-methylcyclohexa-1,3-dien-1-yl)ethyl]piperidine-1-carboxamide is C=C=C1N(CCC2CCN(C(=O)NCCC3=CC=CCC3C)CC2)C(N)=NC1(C)CC(C)C.
What is the InChIKey of 4-[2-[2-amino-5-ethenylidene-4-methyl-4-(2-methylpropyl)imidazol-1-yl]ethyl]-N-[2-(6-methylcyclohexa-1,3-dien-1-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is KEVOSBLLKSUGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43N5O/c1-6-24-27(5,19-20(2)3)30-25(28)32(24)18-14-22-12-16-31(17-13-22)26(33)29-15-11-23-10-8-7-9-21(23)4/h7-8,10,20-22H,1,9,11-19H2,2-5H3,(H2,28,30)(H,29,33).
What are the key properties of 4-[2-[2-amino-5-ethenylidene-4-methyl-4-(2-methylpropyl)imidazol-1-yl]ethyl]-N-[2-(6-methylcyclohexa-1,3-dien-1-yl)ethyl]piperidine-1-carboxamide?
4-[2-[2-amino-5-ethenylidene-4-methyl-4-(2-methylpropyl)imidazol-1-yl]ethyl]-N-[2-(6-methylcyclohexa-1,3-dien-1-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 453.68 g/mol, XLogP of 4.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-amino-5-ethenylidene-4-methyl-4-(2-methylpropyl)imidazol-1-yl]ethyl]-N-[2-(6-methylcyclohexa-1,3-dien-1-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 176533429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).