N-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide

C16H22N2O2 — CID 53316949

IUPACN-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide
SMILESCOc1cccc(N2CCCC(NC(=O)C3CC3)C2)c1
InChIInChI=1S/C16H22N2O2/c1-20-15-6-2-5-14(10-15)18-9-3-4-13(11-18)17-16(19)12-7-8-12/h2,5-6,10,12-13H,3-4,7-9,11H2,1H3,(H,17,19)
InChIKeyIQYNIMPSBOGDGR-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.19
Rot. Bonds4

About N-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide

N-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide (PubChem CID 53316949) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide
PubChem CID53316949
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide
SMILESCOc1cccc(N2CCCC(NC(=O)C3CC3)C2)c1
InChIInChI=1S/C16H22N2O2/c1-20-15-6-2-5-14(10-15)18-9-3-4-13(11-18)17-16(19)12-7-8-12/h2,5-6,10,12-13H,3-4,7-9,11H2,1H3,(H,17,19)
InChIKeyIQYNIMPSBOGDGR-UHFFFAOYSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide (CID 53316949) is N-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide is COc1cccc(N2CCCC(NC(=O)C3CC3)C2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide?
The InChIKey is IQYNIMPSBOGDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-20-15-6-2-5-14(10-15)18-9-3-4-13(11-18)17-16(19)12-7-8-12/h2,5-6,10,12-13H,3-4,7-9,11H2,1H3,(H,17,19).
What are the key properties of N-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide?
N-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 53316949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).