ethyl 1-(oxan-4-ylmethylcarbamoyl)piperidine-3-carboxylate

C15H26N2O4 — CID 108912857

IUPACethyl 1-(oxan-4-ylmethylcarbamoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)NCC2CCOCC2)C1
InChIInChI=1S/C15H26N2O4/c1-2-21-14(18)13-4-3-7-17(11-13)15(19)16-10-12-5-8-20-9-6-12/h12-13H,2-11H2,1H3,(H,16,19)
InChIKeyTVBRQLBVRGHRFM-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.40
Rot. Bonds4

About ethyl 1-(oxan-4-ylmethylcarbamoyl)piperidine-3-carboxylate

ethyl 1-(oxan-4-ylmethylcarbamoyl)piperidine-3-carboxylate (PubChem CID 108912857) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is ethyl 1-(oxan-4-ylmethylcarbamoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(oxan-4-ylmethylcarbamoyl)piperidine-3-carboxylate
PubChem CID108912857
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Nameethyl 1-(oxan-4-ylmethylcarbamoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)NCC2CCOCC2)C1
InChIInChI=1S/C15H26N2O4/c1-2-21-14(18)13-4-3-7-17(11-13)15(19)16-10-12-5-8-20-9-6-12/h12-13H,2-11H2,1H3,(H,16,19)
InChIKeyTVBRQLBVRGHRFM-UHFFFAOYSA-N
XLogP1.40
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 1-(oxan-4-ylmethylcarbamoyl)piperidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (3R)-1-(oxan-4-ylmethyl)piperidine-3-carboxylate
CID 81338184
4-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxybutanoic acid
CID 107837748
3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate
CID 51681874
ethyl (3R)-1-methylpiperidine-3-carboxylate
CID 736036
2-[2-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]ethoxy]acetic acid
CID 79463699
(3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 81126444
ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate
CID 43424044
ethyl 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetyl]piperidine-3-carboxylate
CID 55506082
1-(cyclohexylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 43371699
ethyl 1-[[(E)-2-cyclopropylprop-1-enyl]carbamoyl]piperidine-3-carboxylate
CID 108915450
ethyl 1-[N'-methyl-N-[(1-propylpiperidin-4-yl)methyl]carbamimidoyl]piperidine-3-carboxylate
CID 110995177
ethyl (3S)-1-[2-(cyclopropylmethylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 81339366

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(oxan-4-ylmethylcarbamoyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(oxan-4-ylmethylcarbamoyl)piperidine-3-carboxylate (CID 108912857) is ethyl 1-(oxan-4-ylmethylcarbamoyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(oxan-4-ylmethylcarbamoyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(oxan-4-ylmethylcarbamoyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)NCC2CCOCC2)C1.
What is the InChIKey of ethyl 1-(oxan-4-ylmethylcarbamoyl)piperidine-3-carboxylate?
The InChIKey is TVBRQLBVRGHRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-2-21-14(18)13-4-3-7-17(11-13)15(19)16-10-12-5-8-20-9-6-12/h12-13H,2-11H2,1H3,(H,16,19).
What are the key properties of ethyl 1-(oxan-4-ylmethylcarbamoyl)piperidine-3-carboxylate?
ethyl 1-(oxan-4-ylmethylcarbamoyl)piperidine-3-carboxylate has a molecular weight of 298.38 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(oxan-4-ylmethylcarbamoyl)piperidine-3-carboxylate is sourced from PubChem (CID 108912857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).