1-(4-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutane-1-carboxamide

C19H27ClN2O — CID 78865674

IUPAC1-(4-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutane-1-carboxamide
SMILESCC(CN1CCCCC1)NC(=O)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C19H27ClN2O/c1-15(14-22-12-3-2-4-13-22)21-18(23)19(10-5-11-19)16-6-8-17(20)9-7-16/h6-9,15H,2-5,10-14H2,1H3,(H,21,23)
InChIKeyJUPPZVMOMPHFMY-UHFFFAOYSA-N
MW334.89 g/mol
LogP3.75
Rot. Bonds5

About 1-(4-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutane-1-carboxamide

1-(4-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutane-1-carboxamide (PubChem CID 78865674) has the molecular formula C19H27ClN2O and a molecular weight of 334.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutane-1-carboxamide
PubChem CID78865674
Molecular FormulaC19H27ClN2O
Molecular Weight334.89 g/mol
Exact Mass334.18
IUPAC Name1-(4-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutane-1-carboxamide
SMILESCC(CN1CCCCC1)NC(=O)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C19H27ClN2O/c1-15(14-22-12-3-2-4-13-22)21-18(23)19(10-5-11-19)16-6-8-17(20)9-7-16/h6-9,15H,2-5,10-14H2,1H3,(H,21,23)
InChIKeyJUPPZVMOMPHFMY-UHFFFAOYSA-N
XLogP3.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.89
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(4-tert-butylphenyl)-N-(1-hydroxypropan-2-yl)cyclohexane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutane-1-carboxamide (CID 78865674) is 1-(4-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutane-1-carboxamide is CC(CN1CCCCC1)NC(=O)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutane-1-carboxamide?
The InChIKey is JUPPZVMOMPHFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O/c1-15(14-22-12-3-2-4-13-22)21-18(23)19(10-5-11-19)16-6-8-17(20)9-7-16/h6-9,15H,2-5,10-14H2,1H3,(H,21,23).
What are the key properties of 1-(4-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutane-1-carboxamide?
1-(4-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutane-1-carboxamide has a molecular weight of 334.89 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 78865674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).