N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide

C31H42N4O3 — CID 67972145

IUPACN-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(NC1CCC(CCN2CCC(c3cccc4c3CCO4)CC2)CC1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C31H42N4O3/c36-31(25-6-9-30(32-22-25)35-17-20-37-21-18-35)33-26-7-4-23(5-8-26)10-14-34-15-11-24(12-16-34)27-2-1-3-29-28(27)13-19-38-29/h1-3,6,9,22-24,26H,4-5,7-8,10-21H2,(H,33,36)
InChIKeyFHOVKJHMUHGSDG-UHFFFAOYSA-N
MW518.70 g/mol
LogP4.41
Rot. Bonds7

About N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide

N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 67972145) has the molecular formula C31H42N4O3 and a molecular weight of 518.70 g/mol. Its IUPAC name is N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID67972145
Molecular FormulaC31H42N4O3
Molecular Weight518.70 g/mol
Exact Mass518.33
IUPAC NameN-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(NC1CCC(CCN2CCC(c3cccc4c3CCO4)CC2)CC1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C31H42N4O3/c36-31(25-6-9-30(32-22-25)35-17-20-37-21-18-35)33-26-7-4-23(5-8-26)10-14-34-15-11-24(12-16-34)27-2-1-3-29-28(27)13-19-38-29/h1-3,6,9,22-24,26H,4-5,7-8,10-21H2,(H,33,36)
InChIKeyFHOVKJHMUHGSDG-UHFFFAOYSA-N
XLogP4.41
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.70
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide (CID 67972145) is N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide is O=C(NC1CCC(CCN2CCC(c3cccc4c3CCO4)CC2)CC1)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is FHOVKJHMUHGSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42N4O3/c36-31(25-6-9-30(32-22-25)35-17-20-37-21-18-35)33-26-7-4-23(5-8-26)10-14-34-15-11-24(12-16-34)27-2-1-3-29-28(27)13-19-38-29/h1-3,6,9,22-24,26H,4-5,7-8,10-21H2,(H,33,36).
What are the key properties of N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide?
N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 518.70 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 67972145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).