4-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]oxane-4-carboxylic acid

C14H25N3O4 — CID 115440401

IUPAC4-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]oxane-4-carboxylic acid
SMILESCN(C(=O)NCC1(C(=O)O)CCOCC1)C1CCNCC1
InChIInChI=1S/C14H25N3O4/c1-17(11-2-6-15-7-3-11)13(20)16-10-14(12(18)19)4-8-21-9-5-14/h11,15H,2-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyWIFFRJYNDWEADR-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.26
Rot. Bonds4

About 4-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]oxane-4-carboxylic acid

4-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]oxane-4-carboxylic acid (PubChem CID 115440401) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]oxane-4-carboxylic acid
PubChem CID115440401
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name4-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]oxane-4-carboxylic acid
SMILESCN(C(=O)NCC1(C(=O)O)CCOCC1)C1CCNCC1
InChIInChI=1S/C14H25N3O4/c1-17(11-2-6-15-7-3-11)13(20)16-10-14(12(18)19)4-8-21-9-5-14/h11,15H,2-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyWIFFRJYNDWEADR-UHFFFAOYSA-N
XLogP0.26
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]oxane-4-carboxylic acid with MolForge

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Related Compounds

1-[[[methyl(oxan-4-yl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451281
1-[[[cyclopropyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446401
4-[[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]methyl]oxane-4-carboxylic acid
CID 115440343
1-methyl-1-piperidin-4-yl-3-propylurea
CID 20569907
4-[[[methyl(phenyl)carbamoyl]amino]methyl]oxane-4-carboxylic acid
CID 115440277
4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 115439966
4-[[(2-amino-2-methylpentanoyl)amino]methyl]oxane-4-carboxylic acid
CID 115439956
4-[(propanoylamino)methyl]oxane-4-carboxylic acid
CID 115438294
1-[[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312531
4-[(cyclopentanecarbonylamino)methyl]oxane-4-carboxylic acid
CID 115438442
4-[[cyclopropyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid
CID 115292842
4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 104914473

Frequently Asked Questions

What is the IUPAC name of 4-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]oxane-4-carboxylic acid (CID 115440401) is 4-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]oxane-4-carboxylic acid is CN(C(=O)NCC1(C(=O)O)CCOCC1)C1CCNCC1.
What is the InChIKey of 4-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]oxane-4-carboxylic acid?
The InChIKey is WIFFRJYNDWEADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-17(11-2-6-15-7-3-11)13(20)16-10-14(12(18)19)4-8-21-9-5-14/h11,15H,2-10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 4-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]oxane-4-carboxylic acid?
4-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]oxane-4-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 115440401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).