N-[2-(cyclohexen-1-yl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide

C20H30N4O — CID 649439

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCCC(C(=O)NCCC3=CCCCC3)C2)n1
InChIInChI=1S/C20H30N4O/c1-15-13-16(2)23-20(22-15)24-12-6-9-18(14-24)19(25)21-11-10-17-7-4-3-5-8-17/h7,13,18H,3-6,8-12,14H2,1-2H3,(H,21,25)
InChIKeyOZGMUUCTPJNPBF-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.32
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 649439) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID649439
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCCC(C(=O)NCCC3=CCCCC3)C2)n1
InChIInChI=1S/C20H30N4O/c1-15-13-16(2)23-20(22-15)24-12-6-9-18(14-24)19(25)21-11-10-17-7-4-3-5-8-17/h7,13,18H,3-6,8-12,14H2,1-2H3,(H,21,25)
InChIKeyOZGMUUCTPJNPBF-UHFFFAOYSA-N
XLogP3.32
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide (CID 649439) is N-[2-(cyclohexen-1-yl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide is Cc1cc(C)nc(N2CCCC(C(=O)NCCC3=CCCCC3)C2)n1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is OZGMUUCTPJNPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-15-13-16(2)23-20(22-15)24-12-6-9-18(14-24)19(25)21-11-10-17-7-4-3-5-8-17/h7,13,18H,3-6,8-12,14H2,1-2H3,(H,21,25).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide has a molecular weight of 342.49 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 649439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).