N-cyclopropyl-4-[2-fluoro-4-[(1-methylpiperidin-4-yl)methoxy]phenyl]cyclohex-3-ene-1-carboxamide

C23H31FN2O2 — CID 126662048

IUPACN-cyclopropyl-4-[2-fluoro-4-[(1-methylpiperidin-4-yl)methoxy]phenyl]cyclohex-3-ene-1-carboxamide
SMILESCN1CCC(COc2ccc(C3=CCC(C(=O)NC4CC4)CC3)c(F)c2)CC1
InChIInChI=1S/C23H31FN2O2/c1-26-12-10-16(11-13-26)15-28-20-8-9-21(22(24)14-20)17-2-4-18(5-3-17)23(27)25-19-6-7-19/h2,8-9,14,16,18-19H,3-7,10-13,15H2,1H3,(H,25,27)
InChIKeyCSSYHZRYFBXWLE-UHFFFAOYSA-N
MW386.51 g/mol
LogP4.01
Rot. Bonds6

About N-cyclopropyl-4-[2-fluoro-4-[(1-methylpiperidin-4-yl)methoxy]phenyl]cyclohex-3-ene-1-carboxamide

N-cyclopropyl-4-[2-fluoro-4-[(1-methylpiperidin-4-yl)methoxy]phenyl]cyclohex-3-ene-1-carboxamide (PubChem CID 126662048) has the molecular formula C23H31FN2O2 and a molecular weight of 386.51 g/mol. Its IUPAC name is N-cyclopropyl-4-[2-fluoro-4-[(1-methylpiperidin-4-yl)methoxy]phenyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[2-fluoro-4-[(1-methylpiperidin-4-yl)methoxy]phenyl]cyclohex-3-ene-1-carboxamide
PubChem CID126662048
Molecular FormulaC23H31FN2O2
Molecular Weight386.51 g/mol
Exact Mass386.24
IUPAC NameN-cyclopropyl-4-[2-fluoro-4-[(1-methylpiperidin-4-yl)methoxy]phenyl]cyclohex-3-ene-1-carboxamide
SMILESCN1CCC(COc2ccc(C3=CCC(C(=O)NC4CC4)CC3)c(F)c2)CC1
InChIInChI=1S/C23H31FN2O2/c1-26-12-10-16(11-13-26)15-28-20-8-9-21(22(24)14-20)17-2-4-18(5-3-17)23(27)25-19-6-7-19/h2,8-9,14,16,18-19H,3-7,10-13,15H2,1H3,(H,25,27)
InChIKeyCSSYHZRYFBXWLE-UHFFFAOYSA-N
XLogP4.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.51
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[2-fluoro-4-[(1-methylpiperidin-4-yl)methoxy]phenyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-cyclopropyl-4-[2-fluoro-4-[(1-methylpiperidin-4-yl)methoxy]phenyl]cyclohex-3-ene-1-carboxamide (CID 126662048) is N-cyclopropyl-4-[2-fluoro-4-[(1-methylpiperidin-4-yl)methoxy]phenyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-[2-fluoro-4-[(1-methylpiperidin-4-yl)methoxy]phenyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-cyclopropyl-4-[2-fluoro-4-[(1-methylpiperidin-4-yl)methoxy]phenyl]cyclohex-3-ene-1-carboxamide is CN1CCC(COc2ccc(C3=CCC(C(=O)NC4CC4)CC3)c(F)c2)CC1.
What is the InChIKey of N-cyclopropyl-4-[2-fluoro-4-[(1-methylpiperidin-4-yl)methoxy]phenyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is CSSYHZRYFBXWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN2O2/c1-26-12-10-16(11-13-26)15-28-20-8-9-21(22(24)14-20)17-2-4-18(5-3-17)23(27)25-19-6-7-19/h2,8-9,14,16,18-19H,3-7,10-13,15H2,1H3,(H,25,27).
What are the key properties of N-cyclopropyl-4-[2-fluoro-4-[(1-methylpiperidin-4-yl)methoxy]phenyl]cyclohex-3-ene-1-carboxamide?
N-cyclopropyl-4-[2-fluoro-4-[(1-methylpiperidin-4-yl)methoxy]phenyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 386.51 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[2-fluoro-4-[(1-methylpiperidin-4-yl)methoxy]phenyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 126662048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).