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

C30H38FN5O3 — CID 25206377

IUPACN-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-morpholin-4-ylpyridine-4-carboxamide
SMILESO=C(NC1CCC(CCN2CCC(c3noc4cc(F)ccc34)CC2)CC1)c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C30H38FN5O3/c31-24-3-6-26-27(20-24)39-34-29(26)22-9-13-35(14-10-22)12-8-21-1-4-25(5-2-21)33-30(37)23-7-11-32-28(19-23)36-15-17-38-18-16-36/h3,6-7,11,19-22,25H,1-2,4-5,8-10,12-18H2,(H,33,37)
InChIKeyVWGPRFQVSJZKGC-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]-2-morpholin-4-ylpyridine-4-carboxamide

N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-morpholin-4-ylpyridine-4-carboxamide (PubChem CID 25206377) 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]-2-morpholin-4-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-morpholin-4-ylpyridine-4-carboxamide
PubChem CID25206377
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]-2-morpholin-4-ylpyridine-4-carboxamide
SMILESO=C(NC1CCC(CCN2CCC(c3noc4cc(F)ccc34)CC2)CC1)c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C30H38FN5O3/c31-24-3-6-26-27(20-24)39-34-29(26)22-9-13-35(14-10-22)12-8-21-1-4-25(5-2-21)33-30(37)23-7-11-32-28(19-23)36-15-17-38-18-16-36/h3,6-7,11,19-22,25H,1-2,4-5,8-10,12-18H2,(H,33,37)
InChIKeyVWGPRFQVSJZKGC-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]-2-morpholin-4-ylpyridine-4-carboxamide?
The IUPAC name of N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-morpholin-4-ylpyridine-4-carboxamide (CID 25206377) is N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-morpholin-4-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-morpholin-4-ylpyridine-4-carboxamide?
The canonical SMILES for N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-morpholin-4-ylpyridine-4-carboxamide is O=C(NC1CCC(CCN2CCC(c3noc4cc(F)ccc34)CC2)CC1)c1ccnc(N2CCOCC2)c1.
What is the InChIKey of N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-morpholin-4-ylpyridine-4-carboxamide?
The InChIKey is VWGPRFQVSJZKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38FN5O3/c31-24-3-6-26-27(20-24)39-34-29(26)22-9-13-35(14-10-22)12-8-21-1-4-25(5-2-21)33-30(37)23-7-11-32-28(19-23)36-15-17-38-18-16-36/h3,6-7,11,19-22,25H,1-2,4-5,8-10,12-18H2,(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]-2-morpholin-4-ylpyridine-4-carboxamide?
N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-morpholin-4-ylpyridine-4-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]-2-morpholin-4-ylpyridine-4-carboxamide is sourced from PubChem (CID 25206377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).