(2-amino-2-oxoethyl) 4-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]butanoate

C18H23N3O4 — CID 58032679

IUPAC(2-amino-2-oxoethyl) 4-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]butanoate
SMILESNC(=O)COC(=O)CCCC1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C18H23N3O4/c19-16(22)12-24-17(23)7-3-4-13-8-10-21(11-9-13)18-20-14-5-1-2-6-15(14)25-18/h1-2,5-6,13H,3-4,7-12H2,(H2,19,22)
InChIKeyNGTWCHKPMWKTLF-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.24
Rot. Bonds7

About (2-amino-2-oxoethyl) 4-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]butanoate

(2-amino-2-oxoethyl) 4-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]butanoate (PubChem CID 58032679) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 4-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]butanoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 4-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]butanoate
PubChem CID58032679
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name(2-amino-2-oxoethyl) 4-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]butanoate
SMILESNC(=O)COC(=O)CCCC1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C18H23N3O4/c19-16(22)12-24-17(23)7-3-4-13-8-10-21(11-9-13)18-20-14-5-1-2-6-15(14)25-18/h1-2,5-6,13H,3-4,7-12H2,(H2,19,22)
InChIKeyNGTWCHKPMWKTLF-UHFFFAOYSA-N
XLogP2.24
TPSA98.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2-amino-2-oxoethyl) 4-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]butanoate with MolForge

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Related Compounds

(2-amino-2-oxoethyl) 4-(1-quinolin-3-ylpiperidin-4-yl)butanoate
CID 58032803
(2-amino-2-oxoethyl) 4-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]butanoate
CID 58032757
2-methylprop-2-enyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 78846667
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]butanamide
CID 121109371
3-methoxypropyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 60562732
[4-(aminomethyl)piperidin-1-yl]-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methanone;dihydrochloride
CID 119423816
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-2-chlorobenzamide
CID 121109413
(2-chlorophenyl)methyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 46685004
1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-propan-2-ylurea
CID 121109518
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-N'-(2-methylpropyl)oxamide
CID 121107967
1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-benzylurea
CID 121109523
1,3-benzothiazol-2-ylmethyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 16593464

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 4-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]butanoate?
The IUPAC name of (2-amino-2-oxoethyl) 4-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]butanoate (CID 58032679) is (2-amino-2-oxoethyl) 4-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]butanoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 4-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]butanoate?
The canonical SMILES for (2-amino-2-oxoethyl) 4-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]butanoate is NC(=O)COC(=O)CCCC1CCN(c2nc3ccccc3o2)CC1.
What is the InChIKey of (2-amino-2-oxoethyl) 4-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]butanoate?
The InChIKey is NGTWCHKPMWKTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c19-16(22)12-24-17(23)7-3-4-13-8-10-21(11-9-13)18-20-14-5-1-2-6-15(14)25-18/h1-2,5-6,13H,3-4,7-12H2,(H2,19,22).
What are the key properties of (2-amino-2-oxoethyl) 4-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]butanoate?
(2-amino-2-oxoethyl) 4-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]butanoate has a molecular weight of 345.40 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 4-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]butanoate is sourced from PubChem (CID 58032679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).