N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxy-N-propan-2-ylpropanamide

C20H28FN3O3 — CID 156552384

IUPACN-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxy-N-propan-2-ylpropanamide
SMILESCC(C)N(CCN1CCC(c2noc3cc(F)ccc23)CC1)C(=O)CCO
InChIInChI=1S/C20H28FN3O3/c1-14(2)24(19(26)7-12-25)11-10-23-8-5-15(6-9-23)20-17-4-3-16(21)13-18(17)27-22-20/h3-4,13-15,25H,5-12H2,1-2H3
InChIKeyYQCPDRVHUVCVIN-UHFFFAOYSA-N
MW377.46 g/mol
LogP2.77
Rot. Bonds7

About N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxy-N-propan-2-ylpropanamide

N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxy-N-propan-2-ylpropanamide (PubChem CID 156552384) has the molecular formula C20H28FN3O3 and a molecular weight of 377.46 g/mol. Its IUPAC name is N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxy-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxy-N-propan-2-ylpropanamide
PubChem CID156552384
Molecular FormulaC20H28FN3O3
Molecular Weight377.46 g/mol
Exact Mass377.21
IUPAC NameN-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxy-N-propan-2-ylpropanamide
SMILESCC(C)N(CCN1CCC(c2noc3cc(F)ccc23)CC1)C(=O)CCO
InChIInChI=1S/C20H28FN3O3/c1-14(2)24(19(26)7-12-25)11-10-23-8-5-15(6-9-23)20-17-4-3-16(21)13-18(17)27-22-20/h3-4,13-15,25H,5-12H2,1-2H3
InChIKeyYQCPDRVHUVCVIN-UHFFFAOYSA-N
XLogP2.77
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxy-N-propan-2-ylpropanamide?
The IUPAC name of N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxy-N-propan-2-ylpropanamide (CID 156552384) is N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxy-N-propan-2-ylpropanamide.
What is the SMILES notation for N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxy-N-propan-2-ylpropanamide?
The canonical SMILES for N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxy-N-propan-2-ylpropanamide is CC(C)N(CCN1CCC(c2noc3cc(F)ccc23)CC1)C(=O)CCO.
What is the InChIKey of N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxy-N-propan-2-ylpropanamide?
The InChIKey is YQCPDRVHUVCVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O3/c1-14(2)24(19(26)7-12-25)11-10-23-8-5-15(6-9-23)20-17-4-3-16(21)13-18(17)27-22-20/h3-4,13-15,25H,5-12H2,1-2H3.
What are the key properties of N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxy-N-propan-2-ylpropanamide?
N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxy-N-propan-2-ylpropanamide has a molecular weight of 377.46 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxy-N-propan-2-ylpropanamide is sourced from PubChem (CID 156552384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).