2-methyl-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid

C14H25N3O4 — CID 104598338

IUPAC2-methyl-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid
SMILESCN1CCOC(CNC(=O)N2CCCCC2(C)C(=O)O)C1
InChIInChI=1S/C14H25N3O4/c1-14(12(18)19)5-3-4-6-17(14)13(20)15-9-11-10-16(2)7-8-21-11/h11H,3-10H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyCWDDSCDHZSPMLX-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.36
Rot. Bonds3

About 2-methyl-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid

2-methyl-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid (PubChem CID 104598338) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-methyl-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid
PubChem CID104598338
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name2-methyl-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid
SMILESCN1CCOC(CNC(=O)N2CCCCC2(C)C(=O)O)C1
InChIInChI=1S/C14H25N3O4/c1-14(12(18)19)5-3-4-6-17(14)13(20)15-9-11-10-16(2)7-8-21-11/h11H,3-10H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyCWDDSCDHZSPMLX-UHFFFAOYSA-N
XLogP0.36
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597783
1-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 79070971
2-methyl-1-[(4-methylmorpholin-2-yl)methyl]piperidine-2-carboxylic acid
CID 113431091
1-amino-N-[(4-methylmorpholin-2-yl)methyl]cyclopentane-1-carboxamide
CID 79082482
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
2-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
CID 104595535
2-[4-[(4-methylmorpholin-2-yl)methylcarbamoyl]piperazin-1-yl]acetic acid
CID 79083458
2-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 113361141
4-methyl-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 79071056
1-(2-aminoethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597979
2-methyl-1-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 103994653

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid (CID 104598338) is 2-methyl-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid is CN1CCOC(CNC(=O)N2CCCCC2(C)C(=O)O)C1.
What is the InChIKey of 2-methyl-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid?
The InChIKey is CWDDSCDHZSPMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-14(12(18)19)5-3-4-6-17(14)13(20)15-9-11-10-16(2)7-8-21-11/h11H,3-10H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 2-methyl-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid?
2-methyl-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 104598338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).