(3R)-1-(oxan-3-ylcarbamoyl)piperidine-3-carboxylic acid

C12H20N2O4 — CID 81120821

IUPAC(3R)-1-(oxan-3-ylcarbamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)NC2CCCOC2)C1
InChIInChI=1S/C12H20N2O4/c15-11(16)9-3-1-5-14(7-9)12(17)13-10-4-2-6-18-8-10/h9-10H,1-8H2,(H,13,17)(H,15,16)/t9-,10?/m1/s1
InChIKeyQYWMQKQERYOYNR-YHMJZVADSA-N
MW256.30 g/mol
LogP0.67
Rot. Bonds2

About (3R)-1-(oxan-3-ylcarbamoyl)piperidine-3-carboxylic acid

(3R)-1-(oxan-3-ylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 81120821) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is (3R)-1-(oxan-3-ylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(oxan-3-ylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID81120821
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name(3R)-1-(oxan-3-ylcarbamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)NC2CCCOC2)C1
InChIInChI=1S/C12H20N2O4/c15-11(16)9-3-1-5-14(7-9)12(17)13-10-4-2-6-18-8-10/h9-10H,1-8H2,(H,13,17)(H,15,16)/t9-,10?/m1/s1
InChIKeyQYWMQKQERYOYNR-YHMJZVADSA-N
XLogP0.67
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(oxane-3-carbonyl)piperidine-3-carboxylic acid
CID 81125597
(3R)-1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120892
1-[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119353705
3-[(3-hydroxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 55147885
(3S)-1-[(3,5-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126261
1-[[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]carbamoyl]piperidine-3-carboxylic acid
CID 122013071
(3S)-1-[(4,4-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125593
(3S,4S)-1-(oxan-3-ylcarbamoyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122001084
(3S,4S)-1-[[(3R)-oxan-3-yl]carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122014555
3-N-cyclohexyl-1-N-(oxan-4-yl)piperidine-1,3-dicarboxamide
CID 71936022
(3S)-1-(cyclohex-3-en-1-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81123190
1-[(2-methyloxolan-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 82727888

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(oxan-3-ylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(oxan-3-ylcarbamoyl)piperidine-3-carboxylic acid (CID 81120821) is (3R)-1-(oxan-3-ylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(oxan-3-ylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(oxan-3-ylcarbamoyl)piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)NC2CCCOC2)C1.
What is the InChIKey of (3R)-1-(oxan-3-ylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is QYWMQKQERYOYNR-YHMJZVADSA-N. The full InChI is InChI=1S/C12H20N2O4/c15-11(16)9-3-1-5-14(7-9)12(17)13-10-4-2-6-18-8-10/h9-10H,1-8H2,(H,13,17)(H,15,16)/t9-,10?/m1/s1.
What are the key properties of (3R)-1-(oxan-3-ylcarbamoyl)piperidine-3-carboxylic acid?
(3R)-1-(oxan-3-ylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(oxan-3-ylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 81120821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).