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

C21H28FN3O3 — CID 156552382

IUPACN-(cyclopropylmethyl)-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide
SMILESCC(O)C(=O)N(CCN1CCC(c2noc3cc(F)ccc23)CC1)CC1CC1
InChIInChI=1S/C21H28FN3O3/c1-14(26)21(27)25(13-15-2-3-15)11-10-24-8-6-16(7-9-24)20-18-5-4-17(22)12-19(18)28-23-20/h4-5,12,14-16,26H,2-3,6-11,13H2,1H3
InChIKeySGPHWUNCTMLCQF-UHFFFAOYSA-N
MW389.47 g/mol
LogP2.77
Rot. Bonds7

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

N-(cyclopropylmethyl)-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide (PubChem CID 156552382) has the molecular formula C21H28FN3O3 and a molecular weight of 389.47 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide
PubChem CID156552382
Molecular FormulaC21H28FN3O3
Molecular Weight389.47 g/mol
Exact Mass389.21
IUPAC NameN-(cyclopropylmethyl)-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide
SMILESCC(O)C(=O)N(CCN1CCC(c2noc3cc(F)ccc23)CC1)CC1CC1
InChIInChI=1S/C21H28FN3O3/c1-14(26)21(27)25(13-15-2-3-15)11-10-24-8-6-16(7-9-24)20-18-5-4-17(22)12-19(18)28-23-20/h4-5,12,14-16,26H,2-3,6-11,13H2,1H3
InChIKeySGPHWUNCTMLCQF-UHFFFAOYSA-N
XLogP2.77
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
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-(cyclopropylmethyl)-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide (CID 156552382) is N-(cyclopropylmethyl)-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide is CC(O)C(=O)N(CCN1CCC(c2noc3cc(F)ccc23)CC1)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide?
The InChIKey is SGPHWUNCTMLCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O3/c1-14(26)21(27)25(13-15-2-3-15)11-10-24-8-6-16(7-9-24)20-18-5-4-17(22)12-19(18)28-23-20/h4-5,12,14-16,26H,2-3,6-11,13H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide?
N-(cyclopropylmethyl)-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide has a molecular weight of 389.47 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-(cyclopropylmethyl)-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide is sourced from PubChem (CID 156552382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).