1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid

C12H20N2O4 — CID 43135712

IUPAC1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid
SMILESCC1CN(C(=O)N2CCC(C(=O)O)CC2)CCO1
InChIInChI=1S/C12H20N2O4/c1-9-8-14(6-7-18-9)12(17)13-4-2-10(3-5-13)11(15)16/h9-10H,2-8H2,1H3,(H,15,16)
InChIKeyXPHZPIRSBJWQPJ-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.62
Rot. Bonds1

About 1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid

1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid (PubChem CID 43135712) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid
PubChem CID43135712
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid
SMILESCC1CN(C(=O)N2CCC(C(=O)O)CC2)CCO1
InChIInChI=1S/C12H20N2O4/c1-9-8-14(6-7-18-9)12(17)13-4-2-10(3-5-13)11(15)16/h9-10H,2-8H2,1H3,(H,15,16)
InChIKeyXPHZPIRSBJWQPJ-UHFFFAOYSA-N
XLogP0.62
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(2-methyl-1,4-oxazepane-4-carbonyl)piperidine-3-carboxylic acid
CID 81120994
4-methyl-1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid
CID 55177373
2-methyl-1-(2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 79383557
3-[(2-methylmorpholine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66030812
4-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525234
(3S,4S)-4-methyl-1-(2-methyl-1,4-oxazepane-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 114085920
(2S)-2-methylmorpholine-4-carbonyl chloride
CID 151798222
1-(4,4-dimethylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 63032464
2-[4-(4-methylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66435209
2-methylmorpholine-4-carboperoxoic acid
CID 175134730
3-ethyl-1-(2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63145950
(2-aminocyclopropyl)-(2-methylmorpholin-4-yl)methanone
CID 114995835

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid (CID 43135712) is 1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid is CC1CN(C(=O)N2CCC(C(=O)O)CC2)CCO1.
What is the InChIKey of 1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is XPHZPIRSBJWQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-9-8-14(6-7-18-9)12(17)13-4-2-10(3-5-13)11(15)16/h9-10H,2-8H2,1H3,(H,15,16).
What are the key properties of 1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid?
1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 43135712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).