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

C26H30FN3O2 — CID 162653322

IUPACN-(cyclopropylmethyl)-N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]benzamide
SMILESO=C(c1ccccc1)N(CCCN1CCC(c2noc3cc(F)ccc23)CC1)CC1CC1
InChIInChI=1S/C26H30FN3O2/c27-22-9-10-23-24(17-22)32-28-25(23)20-11-15-29(16-12-20)13-4-14-30(18-19-7-8-19)26(31)21-5-2-1-3-6-21/h1-3,5-6,9-10,17,19-20H,4,7-8,11-16,18H2
InChIKeyQUQIRGIEPRATEC-UHFFFAOYSA-N
MW435.54 g/mol
LogP5.09
Rot. Bonds8

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

N-(cyclopropylmethyl)-N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]benzamide (PubChem CID 162653322) has the molecular formula C26H30FN3O2 and a molecular weight of 435.54 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]benzamide
PubChem CID162653322
Molecular FormulaC26H30FN3O2
Molecular Weight435.54 g/mol
Exact Mass435.23
IUPAC NameN-(cyclopropylmethyl)-N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]benzamide
SMILESO=C(c1ccccc1)N(CCCN1CCC(c2noc3cc(F)ccc23)CC1)CC1CC1
InChIInChI=1S/C26H30FN3O2/c27-22-9-10-23-24(17-22)32-28-25(23)20-11-15-29(16-12-20)13-4-14-30(18-19-7-8-19)26(31)21-5-2-1-3-6-21/h1-3,5-6,9-10,17,19-20H,4,7-8,11-16,18H2
InChIKeyQUQIRGIEPRATEC-UHFFFAOYSA-N
XLogP5.09
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.54
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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CID 129103161
6-[5-[4-(6-Fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]pentanoyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
CID 129103318

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]benzamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]benzamide (CID 162653322) is N-(cyclopropylmethyl)-N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]benzamide is O=C(c1ccccc1)N(CCCN1CCC(c2noc3cc(F)ccc23)CC1)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]benzamide?
The InChIKey is QUQIRGIEPRATEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O2/c27-22-9-10-23-24(17-22)32-28-25(23)20-11-15-29(16-12-20)13-4-14-30(18-19-7-8-19)26(31)21-5-2-1-3-6-21/h1-3,5-6,9-10,17,19-20H,4,7-8,11-16,18H2.
What are the key properties of N-(cyclopropylmethyl)-N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]benzamide?
N-(cyclopropylmethyl)-N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]benzamide has a molecular weight of 435.54 g/mol, XLogP of 5.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]benzamide is sourced from PubChem (CID 162653322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).