5-[[(4-chlorophenyl)-cyclopropylmethyl]amino]piperidin-2-one

C15H19ClN2O — CID 63662235

IUPAC5-[[(4-chlorophenyl)-cyclopropylmethyl]amino]piperidin-2-one
SMILESO=C1CCC(NC(c2ccc(Cl)cc2)C2CC2)CN1
InChIInChI=1S/C15H19ClN2O/c16-12-5-3-11(4-6-12)15(10-1-2-10)18-13-7-8-14(19)17-9-13/h3-6,10,13,15,18H,1-2,7-9H2,(H,17,19)
InChIKeyLWULCPWCFJPJJX-UHFFFAOYSA-N
MW278.78 g/mol
LogP2.66
Rot. Bonds4

About 5-[[(4-chlorophenyl)-cyclopropylmethyl]amino]piperidin-2-one

5-[[(4-chlorophenyl)-cyclopropylmethyl]amino]piperidin-2-one (PubChem CID 63662235) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 5-[[(4-chlorophenyl)-cyclopropylmethyl]amino]piperidin-2-one.

Molecular Properties

Compound Name5-[[(4-chlorophenyl)-cyclopropylmethyl]amino]piperidin-2-one
PubChem CID63662235
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name5-[[(4-chlorophenyl)-cyclopropylmethyl]amino]piperidin-2-one
SMILESO=C1CCC(NC(c2ccc(Cl)cc2)C2CC2)CN1
InChIInChI=1S/C15H19ClN2O/c16-12-5-3-11(4-6-12)15(10-1-2-10)18-13-7-8-14(19)17-9-13/h3-6,10,13,15,18H,1-2,7-9H2,(H,17,19)
InChIKeyLWULCPWCFJPJJX-UHFFFAOYSA-N
XLogP2.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[[(4-chlorophenyl)-cyclopropylmethyl]amino]piperidin-2-one?
The IUPAC name of 5-[[(4-chlorophenyl)-cyclopropylmethyl]amino]piperidin-2-one (CID 63662235) is 5-[[(4-chlorophenyl)-cyclopropylmethyl]amino]piperidin-2-one.
What is the SMILES notation for 5-[[(4-chlorophenyl)-cyclopropylmethyl]amino]piperidin-2-one?
The canonical SMILES for 5-[[(4-chlorophenyl)-cyclopropylmethyl]amino]piperidin-2-one is O=C1CCC(NC(c2ccc(Cl)cc2)C2CC2)CN1.
What is the InChIKey of 5-[[(4-chlorophenyl)-cyclopropylmethyl]amino]piperidin-2-one?
The InChIKey is LWULCPWCFJPJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c16-12-5-3-11(4-6-12)15(10-1-2-10)18-13-7-8-14(19)17-9-13/h3-6,10,13,15,18H,1-2,7-9H2,(H,17,19).
What are the key properties of 5-[[(4-chlorophenyl)-cyclopropylmethyl]amino]piperidin-2-one?
5-[[(4-chlorophenyl)-cyclopropylmethyl]amino]piperidin-2-one has a molecular weight of 278.78 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-chlorophenyl)-cyclopropylmethyl]amino]piperidin-2-one is sourced from PubChem (CID 63662235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).