4-(piperidine-3-carbonylamino)oxane-4-carboxylic acid

C12H20N2O4 — CID 115292352

IUPAC4-(piperidine-3-carbonylamino)oxane-4-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOCC1)C1CCCNC1
InChIInChI=1S/C12H20N2O4/c15-10(9-2-1-5-13-8-9)14-12(11(16)17)3-6-18-7-4-12/h9,13H,1-8H2,(H,14,15)(H,16,17)
InChIKeyNOUXJRGRPLZPRH-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.26
Rot. Bonds3

About 4-(piperidine-3-carbonylamino)oxane-4-carboxylic acid

4-(piperidine-3-carbonylamino)oxane-4-carboxylic acid (PubChem CID 115292352) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-(piperidine-3-carbonylamino)oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-(piperidine-3-carbonylamino)oxane-4-carboxylic acid
PubChem CID115292352
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name4-(piperidine-3-carbonylamino)oxane-4-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOCC1)C1CCCNC1
InChIInChI=1S/C12H20N2O4/c15-10(9-2-1-5-13-8-9)14-12(11(16)17)3-6-18-7-4-12/h9,13H,1-8H2,(H,14,15)(H,16,17)
InChIKeyNOUXJRGRPLZPRH-UHFFFAOYSA-N
XLogP-0.26
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(3R)-piperidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 81139232
4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 115439966
1-(oxane-4-carbonylamino)cyclopropane-1-carboxylic acid
CID 65452828
4-[(3-aminocyclopentanecarbonyl)amino]oxane-4-carboxylic acid
CID 113280324
3-[[(2S)-pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid
CID 64889873
2-[1-[[(3S)-piperidine-3-carbonyl]amino]cyclobutyl]acetic acid
CID 81133872
1-(cyclopentanecarbonylamino)cyclobutane-1-carboxylic acid
CID 81158706
4-[(2-methylpyrrolidine-3-carbonyl)amino]oxane-4-carboxylic acid
CID 113280297
(3S)-N-(oxan-4-ylmethyl)piperidine-3-carboxamide
CID 81141151
N-(1-ethylcyclobutyl)piperidine-3-carboxamide
CID 115734414
1-(morpholine-2-carbonylamino)cyclobutane-1-carboxylic acid
CID 81161798
N-(oxan-4-ylmethyl)piperidine-3-carboxamide
CID 53410772

Frequently Asked Questions

What is the IUPAC name of 4-(piperidine-3-carbonylamino)oxane-4-carboxylic acid?
The IUPAC name of 4-(piperidine-3-carbonylamino)oxane-4-carboxylic acid (CID 115292352) is 4-(piperidine-3-carbonylamino)oxane-4-carboxylic acid.
What is the SMILES notation for 4-(piperidine-3-carbonylamino)oxane-4-carboxylic acid?
The canonical SMILES for 4-(piperidine-3-carbonylamino)oxane-4-carboxylic acid is O=C(NC1(C(=O)O)CCOCC1)C1CCCNC1.
What is the InChIKey of 4-(piperidine-3-carbonylamino)oxane-4-carboxylic acid?
The InChIKey is NOUXJRGRPLZPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c15-10(9-2-1-5-13-8-9)14-12(11(16)17)3-6-18-7-4-12/h9,13H,1-8H2,(H,14,15)(H,16,17).
What are the key properties of 4-(piperidine-3-carbonylamino)oxane-4-carboxylic acid?
4-(piperidine-3-carbonylamino)oxane-4-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of -0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidine-3-carbonylamino)oxane-4-carboxylic acid is sourced from PubChem (CID 115292352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).