2-[4-(4-carbamoylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid

C13H21N3O5 — CID 66434819

IUPAC2-[4-(4-carbamoylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid
SMILESNC(=O)C1CCN(C(=O)N2CCOC(CC(=O)O)C2)CC1
InChIInChI=1S/C13H21N3O5/c14-12(19)9-1-3-15(4-2-9)13(20)16-5-6-21-10(8-16)7-11(17)18/h9-10H,1-8H2,(H2,14,19)(H,17,18)
InChIKeyPEBVDMBEXCQQBH-UHFFFAOYSA-N
MW299.33 g/mol
LogP-0.52
Rot. Bonds3

About 2-[4-(4-carbamoylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid

2-[4-(4-carbamoylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid (PubChem CID 66434819) has the molecular formula C13H21N3O5 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[4-(4-carbamoylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-carbamoylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid
PubChem CID66434819
Molecular FormulaC13H21N3O5
Molecular Weight299.33 g/mol
Exact Mass299.15
IUPAC Name2-[4-(4-carbamoylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid
SMILESNC(=O)C1CCN(C(=O)N2CCOC(CC(=O)O)C2)CC1
InChIInChI=1S/C13H21N3O5/c14-12(19)9-1-3-15(4-2-9)13(20)16-5-6-21-10(8-16)7-11(17)18/h9-10H,1-8H2,(H2,14,19)(H,17,18)
InChIKeyPEBVDMBEXCQQBH-UHFFFAOYSA-N
XLogP-0.52
TPSA113.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-hydroxypiperidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66433665
2-[4-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]morpholin-2-yl]acetic acid
CID 119248813
2-[4-(4-methylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66435209
2-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid
CID 66434691
2-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]morpholin-2-yl]acetic acid
CID 66434843
2-[4-(3,4-dimethoxypyrrolidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 103536464
2-[4-(1-methylpyrrolidine-3-carbonyl)morpholin-2-yl]acetic acid
CID 66420578
2-[4-(2-amino-2-ethylbutanoyl)morpholin-2-yl]acetic acid
CID 79813878
2-[4-(5-oxo-1,4-diazepane-1-carbonyl)morpholin-2-yl]acetic acid
CID 66434305
2-[4-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid
CID 66433529
2-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid
CID 124515284
2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid
CID 66433437

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-carbamoylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(4-carbamoylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid (CID 66434819) is 2-[4-(4-carbamoylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-carbamoylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(4-carbamoylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid is NC(=O)C1CCN(C(=O)N2CCOC(CC(=O)O)C2)CC1.
What is the InChIKey of 2-[4-(4-carbamoylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid?
The InChIKey is PEBVDMBEXCQQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O5/c14-12(19)9-1-3-15(4-2-9)13(20)16-5-6-21-10(8-16)7-11(17)18/h9-10H,1-8H2,(H2,14,19)(H,17,18).
What are the key properties of 2-[4-(4-carbamoylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid?
2-[4-(4-carbamoylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid has a molecular weight of 299.33 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-carbamoylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66434819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).