N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-N-propan-2-ylbenzamide

C25H30FN3O2 — CID 162672738

IUPACN-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-N-propan-2-ylbenzamide
SMILESCC(C)N(CCCN1CCC(c2noc3cc(F)ccc23)CC1)C(=O)c1ccccc1
InChIInChI=1S/C25H30FN3O2/c1-18(2)29(25(30)20-7-4-3-5-8-20)14-6-13-28-15-11-19(12-16-28)24-22-10-9-21(26)17-23(22)31-27-24/h3-5,7-10,17-19H,6,11-16H2,1-2H3
InChIKeyHYERVAPNBCDTON-UHFFFAOYSA-N
MW423.53 g/mol
LogP5.09
Rot. Bonds7

About N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-N-propan-2-ylbenzamide

N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-N-propan-2-ylbenzamide (PubChem CID 162672738) has the molecular formula C25H30FN3O2 and a molecular weight of 423.53 g/mol. Its IUPAC name is N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-N-propan-2-ylbenzamide
PubChem CID162672738
Molecular FormulaC25H30FN3O2
Molecular Weight423.53 g/mol
Exact Mass423.23
IUPAC NameN-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-N-propan-2-ylbenzamide
SMILESCC(C)N(CCCN1CCC(c2noc3cc(F)ccc23)CC1)C(=O)c1ccccc1
InChIInChI=1S/C25H30FN3O2/c1-18(2)29(25(30)20-7-4-3-5-8-20)14-6-13-28-15-11-19(12-16-28)24-22-10-9-21(26)17-23(22)31-27-24/h3-5,7-10,17-19H,6,11-16H2,1-2H3
InChIKeyHYERVAPNBCDTON-UHFFFAOYSA-N
XLogP5.09
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.53
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-N-propan-2-ylbenzamide?
The IUPAC name of N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-N-propan-2-ylbenzamide (CID 162672738) is N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-N-propan-2-ylbenzamide?
The canonical SMILES for N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-N-propan-2-ylbenzamide is CC(C)N(CCCN1CCC(c2noc3cc(F)ccc23)CC1)C(=O)c1ccccc1.
What is the InChIKey of N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-N-propan-2-ylbenzamide?
The InChIKey is HYERVAPNBCDTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O2/c1-18(2)29(25(30)20-7-4-3-5-8-20)14-6-13-28-15-11-19(12-16-28)24-22-10-9-21(26)17-23(22)31-27-24/h3-5,7-10,17-19H,6,11-16H2,1-2H3.
What are the key properties of N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-N-propan-2-ylbenzamide?
N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-N-propan-2-ylbenzamide has a molecular weight of 423.53 g/mol, XLogP of 5.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 162672738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).