1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid

C18H26N4O4 — CID 122076212

IUPAC1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid
SMILESCC1CN(c2ccc(NC(=O)N3CCC(C(=O)O)CC3)cn2)CC(C)O1
InChIInChI=1S/C18H26N4O4/c1-12-10-22(11-13(2)26-12)16-4-3-15(9-19-16)20-18(25)21-7-5-14(6-8-21)17(23)24/h3-4,9,12-14H,5-8,10-11H2,1-2H3,(H,20,25)(H,23,24)
InChIKeyBKKAIANYTSVYPZ-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.02
Rot. Bonds3

About 1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid

1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122076212) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid
PubChem CID122076212
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid
SMILESCC1CN(c2ccc(NC(=O)N3CCC(C(=O)O)CC3)cn2)CC(C)O1
InChIInChI=1S/C18H26N4O4/c1-12-10-22(11-13(2)26-12)16-4-3-15(9-19-16)20-18(25)21-7-5-14(6-8-21)17(23)24/h3-4,9,12-14H,5-8,10-11H2,1-2H3,(H,20,25)(H,23,24)
InChIKeyBKKAIANYTSVYPZ-UHFFFAOYSA-N
XLogP2.02
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid (CID 122076212) is 1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid is CC1CN(c2ccc(NC(=O)N3CCC(C(=O)O)CC3)cn2)CC(C)O1.
What is the InChIKey of 1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is BKKAIANYTSVYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-12-10-22(11-13(2)26-12)16-4-3-15(9-19-16)20-18(25)21-7-5-14(6-8-21)17(23)24/h3-4,9,12-14H,5-8,10-11H2,1-2H3,(H,20,25)(H,23,24).
What are the key properties of 1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid?
1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 362.43 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122076212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).