1-(3-chlorophenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]cyclobutane-1-carboxamide

C21H29ClN2O — CID 56568898

IUPAC1-(3-chlorophenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]cyclobutane-1-carboxamide
SMILESCC(C)=CCN1CCC(NC(=O)C2(c3cccc(Cl)c3)CCC2)CC1
InChIInChI=1S/C21H29ClN2O/c1-16(2)7-12-24-13-8-19(9-14-24)23-20(25)21(10-4-11-21)17-5-3-6-18(22)15-17/h3,5-7,15,19H,4,8-14H2,1-2H3,(H,23,25)
InChIKeyZTZMJACLCLKLLX-UHFFFAOYSA-N
MW360.93 g/mol
LogP4.31
Rot. Bonds5

About 1-(3-chlorophenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]cyclobutane-1-carboxamide

1-(3-chlorophenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]cyclobutane-1-carboxamide (PubChem CID 56568898) has the molecular formula C21H29ClN2O and a molecular weight of 360.93 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]cyclobutane-1-carboxamide
PubChem CID56568898
Molecular FormulaC21H29ClN2O
Molecular Weight360.93 g/mol
Exact Mass360.20
IUPAC Name1-(3-chlorophenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]cyclobutane-1-carboxamide
SMILESCC(C)=CCN1CCC(NC(=O)C2(c3cccc(Cl)c3)CCC2)CC1
InChIInChI=1S/C21H29ClN2O/c1-16(2)7-12-24-13-8-19(9-14-24)23-20(25)21(10-4-11-21)17-5-3-6-18(22)15-17/h3,5-7,15,19H,4,8-14H2,1-2H3,(H,23,25)
InChIKeyZTZMJACLCLKLLX-UHFFFAOYSA-N
XLogP4.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.93
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-(3-chlorophenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]cyclobutane-1-carboxamide (CID 56568898) is 1-(3-chlorophenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]cyclobutane-1-carboxamide is CC(C)=CCN1CCC(NC(=O)C2(c3cccc(Cl)c3)CCC2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]cyclobutane-1-carboxamide?
The InChIKey is ZTZMJACLCLKLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN2O/c1-16(2)7-12-24-13-8-19(9-14-24)23-20(25)21(10-4-11-21)17-5-3-6-18(22)15-17/h3,5-7,15,19H,4,8-14H2,1-2H3,(H,23,25).
What are the key properties of 1-(3-chlorophenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]cyclobutane-1-carboxamide?
1-(3-chlorophenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]cyclobutane-1-carboxamide has a molecular weight of 360.93 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 56568898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).