4-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]oxane-4-carboxylic acid

C15H26N2O4 — CID 114429382

IUPAC4-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]oxane-4-carboxylic acid
SMILESCCC1CCNC(C(=O)NCC2(C(=O)O)CCOCC2)C1
InChIInChI=1S/C15H26N2O4/c1-2-11-3-6-16-12(9-11)13(18)17-10-15(14(19)20)4-7-21-8-5-15/h11-12,16H,2-10H2,1H3,(H,17,18)(H,19,20)
InChIKeyKFTXECFFPYMAQS-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.76
Rot. Bonds5

About 4-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]oxane-4-carboxylic acid

4-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]oxane-4-carboxylic acid (PubChem CID 114429382) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]oxane-4-carboxylic acid
PubChem CID114429382
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name4-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]oxane-4-carboxylic acid
SMILESCCC1CCNC(C(=O)NCC2(C(=O)O)CCOCC2)C1
InChIInChI=1S/C15H26N2O4/c1-2-11-3-6-16-12(9-11)13(18)17-10-15(14(19)20)4-7-21-8-5-15/h11-12,16H,2-10H2,1H3,(H,17,18)(H,19,20)
InChIKeyKFTXECFFPYMAQS-UHFFFAOYSA-N
XLogP0.76
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 104914473
4-[(thiomorpholine-3-carbonylamino)methyl]oxane-4-carboxylic acid
CID 82917777
4-methyl-1-[[(4-methylpiperidine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 114424364
4-ethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]piperidine-2-carboxamide
CID 114429304
1-[(morpholine-3-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 113311232
4-[(cyclopentanecarbonylamino)methyl]oxane-4-carboxylic acid
CID 115438442
N-(cyclohexylmethyl)-4-ethylpiperidine-2-carboxamide
CID 114428046
4-ethyl-N-(3-hydroxypropyl)piperidine-2-carboxamide
CID 114428024
4-ethyl-N-[2-(ethylamino)-2-oxoethyl]piperidine-2-carboxamide
CID 114428095
4-ethyl-N-(oxolan-3-yl)piperidine-2-carboxamide
CID 114429328
4-ethyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide
CID 114428843
4-ethyl-N-(3-ethyl-2-hydroxypentyl)piperidine-2-carboxamide
CID 106286595

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]oxane-4-carboxylic acid (CID 114429382) is 4-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]oxane-4-carboxylic acid is CCC1CCNC(C(=O)NCC2(C(=O)O)CCOCC2)C1.
What is the InChIKey of 4-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]oxane-4-carboxylic acid?
The InChIKey is KFTXECFFPYMAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-2-11-3-6-16-12(9-11)13(18)17-10-15(14(19)20)4-7-21-8-5-15/h11-12,16H,2-10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]oxane-4-carboxylic acid?
4-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]oxane-4-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 114429382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).