5-[1-(2-aminoethyl)piperidin-4-yl]-3H-1,3-benzoxazol-2-one

C14H19N3O2 — CID 116962874

IUPAC5-[1-(2-aminoethyl)piperidin-4-yl]-3H-1,3-benzoxazol-2-one
SMILESNCCN1CCC(c2ccc3oc(=O)[nH]c3c2)CC1
InChIInChI=1S/C14H19N3O2/c15-5-8-17-6-3-10(4-7-17)11-1-2-13-12(9-11)16-14(18)19-13/h1-2,9-10H,3-8,15H2,(H,16,18)
InChIKeyIHUQXAZJRCPEMC-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.26
Rot. Bonds3

About 5-[1-(2-aminoethyl)piperidin-4-yl]-3H-1,3-benzoxazol-2-one

5-[1-(2-aminoethyl)piperidin-4-yl]-3H-1,3-benzoxazol-2-one (PubChem CID 116962874) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-[1-(2-aminoethyl)piperidin-4-yl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[1-(2-aminoethyl)piperidin-4-yl]-3H-1,3-benzoxazol-2-one
PubChem CID116962874
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name5-[1-(2-aminoethyl)piperidin-4-yl]-3H-1,3-benzoxazol-2-one
SMILESNCCN1CCC(c2ccc3oc(=O)[nH]c3c2)CC1
InChIInChI=1S/C14H19N3O2/c15-5-8-17-6-3-10(4-7-17)11-1-2-13-12(9-11)16-14(18)19-13/h1-2,9-10H,3-8,15H2,(H,16,18)
InChIKeyIHUQXAZJRCPEMC-UHFFFAOYSA-N
XLogP1.26
TPSA75.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3,4-difluorophenyl)piperidin-1-yl]ethanamine
CID 82292770
6-[5-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2,5-dihydro-1,2-oxazol-3-yl]-3H-1,3-benzoxazol-2-one
CID 91318020
6-amino-5-[(1-propylpiperidin-4-yl)amino]-3H-1,3-benzoxazol-2-one
CID 115425364
2-[2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidin-1-yl]acetonitrile
CID 116980196
2-[4-(4-ethylphenyl)piperidin-1-yl]ethanamine
CID 82128932
5-(2-oxo-1-propan-2-ylimidazolidin-4-yl)-3H-1,3-benzoxazol-2-one
CID 116981155
2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidine-1-carbonitrile
CID 116980073
3-[3-[1-(6-aminohexyl)piperidin-4-yl]anilino]piperidine-2,6-dione
CID 170749885
5-[(2-aminoethylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 115195344
5-amino-3H-1,3-benzoxazol-2-one
CID 26856
2-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopropane-1-carbonitrile
CID 116837000
5-(3-methylpiperazin-2-yl)-3H-1,3-benzoxazol-2-one
CID 116829287

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-aminoethyl)piperidin-4-yl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-[1-(2-aminoethyl)piperidin-4-yl]-3H-1,3-benzoxazol-2-one (CID 116962874) is 5-[1-(2-aminoethyl)piperidin-4-yl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[1-(2-aminoethyl)piperidin-4-yl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[1-(2-aminoethyl)piperidin-4-yl]-3H-1,3-benzoxazol-2-one is NCCN1CCC(c2ccc3oc(=O)[nH]c3c2)CC1.
What is the InChIKey of 5-[1-(2-aminoethyl)piperidin-4-yl]-3H-1,3-benzoxazol-2-one?
The InChIKey is IHUQXAZJRCPEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-5-8-17-6-3-10(4-7-17)11-1-2-13-12(9-11)16-14(18)19-13/h1-2,9-10H,3-8,15H2,(H,16,18).
What are the key properties of 5-[1-(2-aminoethyl)piperidin-4-yl]-3H-1,3-benzoxazol-2-one?
5-[1-(2-aminoethyl)piperidin-4-yl]-3H-1,3-benzoxazol-2-one has a molecular weight of 261.32 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-aminoethyl)piperidin-4-yl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 116962874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).