phenyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate

C16H20N2O3 — CID 60725156

IUPACphenyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate
SMILESO=C(NC1CCN(C(=O)C2CC2)CC1)Oc1ccccc1
InChIInChI=1S/C16H20N2O3/c19-15(12-6-7-12)18-10-8-13(9-11-18)17-16(20)21-14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H,17,20)
InChIKeySJJCGLRGOVRZTR-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.18
Rot. Bonds3

About phenyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate

phenyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate (PubChem CID 60725156) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is phenyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate
PubChem CID60725156
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Namephenyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate
SMILESO=C(NC1CCN(C(=O)C2CC2)CC1)Oc1ccccc1
InChIInChI=1S/C16H20N2O3/c19-15(12-6-7-12)18-10-8-13(9-11-18)17-16(20)21-14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H,17,20)
InChIKeySJJCGLRGOVRZTR-UHFFFAOYSA-N
XLogP2.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate?
The IUPAC name of phenyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate (CID 60725156) is phenyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate.
What is the SMILES notation for phenyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate?
The canonical SMILES for phenyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate is O=C(NC1CCN(C(=O)C2CC2)CC1)Oc1ccccc1.
What is the InChIKey of phenyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate?
The InChIKey is SJJCGLRGOVRZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-15(12-6-7-12)18-10-8-13(9-11-18)17-16(20)21-14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H,17,20).
What are the key properties of phenyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate?
phenyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate has a molecular weight of 288.35 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 60725156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).