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

C31H40N4O3 — CID 70675488

IUPACN-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C31H40N4O3/c36-31(25-7-10-30(32-21-25)35-17-19-37-20-18-35)33-26-8-5-23(6-9-26)11-14-34-15-12-24(13-16-34)28-22-38-29-4-2-1-3-27(28)29/h1-4,7,10,21-24,26H,5-6,8-9,11-20H2,(H,33,36)
InChIKeyIMAGMLAZQQRSFA-UHFFFAOYSA-N
MW516.69 g/mol
LogP5.22
Rot. Bonds7

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

N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 70675488) has the molecular formula C31H40N4O3 and a molecular weight of 516.69 g/mol. Its IUPAC name is N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID70675488
Molecular FormulaC31H40N4O3
Molecular Weight516.69 g/mol
Exact Mass516.31
IUPAC NameN-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C31H40N4O3/c36-31(25-7-10-30(32-21-25)35-17-19-37-20-18-35)33-26-8-5-23(6-9-26)11-14-34-15-12-24(13-16-34)28-22-38-29-4-2-1-3-27(28)29/h1-4,7,10,21-24,26H,5-6,8-9,11-20H2,(H,33,36)
InChIKeyIMAGMLAZQQRSFA-UHFFFAOYSA-N
XLogP5.22
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.69
LogP ≤ 55.22
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-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide (CID 70675488) is N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide is O=C(NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is IMAGMLAZQQRSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N4O3/c36-31(25-7-10-30(32-21-25)35-17-19-37-20-18-35)33-26-8-5-23(6-9-26)11-14-34-15-12-24(13-16-34)28-22-38-29-4-2-1-3-27(28)29/h1-4,7,10,21-24,26H,5-6,8-9,11-20H2,(H,33,36).
What are the key properties of N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide?
N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 516.69 g/mol, XLogP of 5.22, 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-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 70675488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).