5-methyl-1-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]piperidine-3-carboxylic acid

C17H24N4O4 — CID 122102923

IUPAC5-methyl-1-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)Nc2ccc(N3CCOCC3)cn2)C1
InChIInChI=1S/C17H24N4O4/c1-12-8-13(16(22)23)11-21(10-12)17(24)19-15-3-2-14(9-18-15)20-4-6-25-7-5-20/h2-3,9,12-13H,4-8,10-11H2,1H3,(H,22,23)(H,18,19,24)
InChIKeyMMPNFQXGXVBICW-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.49
Rot. Bonds3

About 5-methyl-1-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]piperidine-3-carboxylic acid

5-methyl-1-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122102923) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 5-methyl-1-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID122102923
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name5-methyl-1-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)Nc2ccc(N3CCOCC3)cn2)C1
InChIInChI=1S/C17H24N4O4/c1-12-8-13(16(22)23)11-21(10-12)17(24)19-15-3-2-14(9-18-15)20-4-6-25-7-5-20/h2-3,9,12-13H,4-8,10-11H2,1H3,(H,22,23)(H,18,19,24)
InChIKeyMMPNFQXGXVBICW-UHFFFAOYSA-N
XLogP1.49
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-1-[(2-methyl-5-morpholin-4-ylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122103044
3-methyl-1-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122091036
1-[(3-fluoro-5-morpholin-4-ylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102256
(2S,4S)-2-methyl-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-4-carboxamide;hydrochloride
CID 120632213
5-methyl-1-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122101998
N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]oxane-4-carboxamide
CID 113024875
1-(2-methylpropanoyl)-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-4-carboxamide
CID 33448100
3-methylsulfanyl-N-(5-morpholin-4-yl-2-pyridinyl)propanamide
CID 25469896
N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]oxane-4-carboxamide
CID 113030831
2-cyclohexyl-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
CID 43049107
(2S,3R)-2-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 38142951
1-[(2,6-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101826

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]piperidine-3-carboxylic acid (CID 122102923) is 5-methyl-1-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]piperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)Nc2ccc(N3CCOCC3)cn2)C1.
What is the InChIKey of 5-methyl-1-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is MMPNFQXGXVBICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-12-8-13(16(22)23)11-21(10-12)17(24)19-15-3-2-14(9-18-15)20-4-6-25-7-5-20/h2-3,9,12-13H,4-8,10-11H2,1H3,(H,22,23)(H,18,19,24).
What are the key properties of 5-methyl-1-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]piperidine-3-carboxylic acid?
5-methyl-1-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 348.40 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122102923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).