2-hydroxyimino-3-morpholin-4-yl-1-piperidin-1-ylpropan-1-one

C12H21N3O3 — CID 72506203

IUPAC2-hydroxyimino-3-morpholin-4-yl-1-piperidin-1-ylpropan-1-one
SMILESO=C(C(CN1CCOCC1)=NO)N1CCCCC1
InChIInChI=1S/C12H21N3O3/c16-12(15-4-2-1-3-5-15)11(13-17)10-14-6-8-18-9-7-14/h17H,1-10H2
InChIKeyPVPNDUGMCSNSAF-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.16
Rot. Bonds3

About 2-hydroxyimino-3-morpholin-4-yl-1-piperidin-1-ylpropan-1-one

2-hydroxyimino-3-morpholin-4-yl-1-piperidin-1-ylpropan-1-one (PubChem CID 72506203) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-hydroxyimino-3-morpholin-4-yl-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-hydroxyimino-3-morpholin-4-yl-1-piperidin-1-ylpropan-1-one
PubChem CID72506203
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name2-hydroxyimino-3-morpholin-4-yl-1-piperidin-1-ylpropan-1-one
SMILESO=C(C(CN1CCOCC1)=NO)N1CCCCC1
InChIInChI=1S/C12H21N3O3/c16-12(15-4-2-1-3-5-15)11(13-17)10-14-6-8-18-9-7-14/h17H,1-10H2
InChIKeyPVPNDUGMCSNSAF-UHFFFAOYSA-N
XLogP0.16
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,3-dimorpholin-4-ylpropan-2-one
CID 139559066
N-(cyclohexylideneamino)-2-morpholin-4-ylacetamide
CID 2854785
N-hydroxy-2-morpholin-4-yl-2-oxoethanimidoyl chloride
CID 75088881
2-(azepan-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 131914309
1-(2-morpholin-4-ylacetyl)piperidin-2-one
CID 122506860
S-(2-morpholin-4-ylacetyl)sulfanyl 2-morpholin-4-ylethanethioate
CID 57225107
2-hydroxyimino-1-piperidin-1-ylpropan-1-one
CID 71404866
1-morpholin-4-ylpropan-2-one;hydrochloride
CID 67491798
2-[7,14-bis(carboxymethyl)-1,4-dioxa-7,10,14-triazacyclohexadec-10-yl]acetic acid
CID 101053388
2-chloro-1-morpholin-4-ylethanone;2-chloro-1-piperidin-1-ylethanone
CID 21435705
CID 59303797
CID 59303797
3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 119840080

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyimino-3-morpholin-4-yl-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-hydroxyimino-3-morpholin-4-yl-1-piperidin-1-ylpropan-1-one (CID 72506203) is 2-hydroxyimino-3-morpholin-4-yl-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-hydroxyimino-3-morpholin-4-yl-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-hydroxyimino-3-morpholin-4-yl-1-piperidin-1-ylpropan-1-one is O=C(C(CN1CCOCC1)=NO)N1CCCCC1.
What is the InChIKey of 2-hydroxyimino-3-morpholin-4-yl-1-piperidin-1-ylpropan-1-one?
The InChIKey is PVPNDUGMCSNSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c16-12(15-4-2-1-3-5-15)11(13-17)10-14-6-8-18-9-7-14/h17H,1-10H2.
What are the key properties of 2-hydroxyimino-3-morpholin-4-yl-1-piperidin-1-ylpropan-1-one?
2-hydroxyimino-3-morpholin-4-yl-1-piperidin-1-ylpropan-1-one has a molecular weight of 255.32 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-3-morpholin-4-yl-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 72506203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).