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

C30H38FN5O3 — CID 25206054

IUPACN-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(NC1CCC(CCN2CCC(c3noc4cc(F)ccc34)CC2)CC1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C30H38FN5O3/c31-24-4-7-26-27(19-24)39-34-29(26)22-10-13-35(14-11-22)12-9-21-1-5-25(6-2-21)33-30(37)23-3-8-28(32-20-23)36-15-17-38-18-16-36/h3-4,7-8,19-22,25H,1-2,5-6,9-18H2,(H,33,37)
InChIKeyZFNISNPBEQEQHE-UHFFFAOYSA-N
MW535.66 g/mol
LogP4.76
Rot. Bonds7

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

N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 25206054) has the molecular formula C30H38FN5O3 and a molecular weight of 535.66 g/mol. Its IUPAC name is N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID25206054
Molecular FormulaC30H38FN5O3
Molecular Weight535.66 g/mol
Exact Mass535.30
IUPAC NameN-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(NC1CCC(CCN2CCC(c3noc4cc(F)ccc34)CC2)CC1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C30H38FN5O3/c31-24-4-7-26-27(19-24)39-34-29(26)22-10-13-35(14-11-22)12-9-21-1-5-25(6-2-21)33-30(37)23-3-8-28(32-20-23)36-15-17-38-18-16-36/h3-4,7-8,19-22,25H,1-2,5-6,9-18H2,(H,33,37)
InChIKeyZFNISNPBEQEQHE-UHFFFAOYSA-N
XLogP4.76
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.66
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide (CID 25206054) is N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide is O=C(NC1CCC(CCN2CCC(c3noc4cc(F)ccc34)CC2)CC1)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is ZFNISNPBEQEQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38FN5O3/c31-24-4-7-26-27(19-24)39-34-29(26)22-10-13-35(14-11-22)12-9-21-1-5-25(6-2-21)33-30(37)23-3-8-28(32-20-23)36-15-17-38-18-16-36/h3-4,7-8,19-22,25H,1-2,5-6,9-18H2,(H,33,37).
What are the key properties of N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide?
N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 535.66 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 25206054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).