ethyl 4-(piperidine-4-carbonylamino)piperidine-1-carboxylate

C14H25N3O3 — CID 24699538

IUPACethyl 4-(piperidine-4-carbonylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CCNCC2)CC1
InChIInChI=1S/C14H25N3O3/c1-2-20-14(19)17-9-5-12(6-10-17)16-13(18)11-3-7-15-8-4-11/h11-12,15H,2-10H2,1H3,(H,16,18)
InChIKeyVOUKXDCGQJKAOV-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.72
Rot. Bonds3

About ethyl 4-(piperidine-4-carbonylamino)piperidine-1-carboxylate

ethyl 4-(piperidine-4-carbonylamino)piperidine-1-carboxylate (PubChem CID 24699538) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is ethyl 4-(piperidine-4-carbonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(piperidine-4-carbonylamino)piperidine-1-carboxylate
PubChem CID24699538
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Nameethyl 4-(piperidine-4-carbonylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CCNCC2)CC1
InChIInChI=1S/C14H25N3O3/c1-2-20-14(19)17-9-5-12(6-10-17)16-13(18)11-3-7-15-8-4-11/h11-12,15H,2-10H2,1H3,(H,16,18)
InChIKeyVOUKXDCGQJKAOV-UHFFFAOYSA-N
XLogP0.72
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 51165095
ethyl 4-[[4-(propan-2-ylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate
CID 109144510
ethyl 4-[[4-(tert-butylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate
CID 109149356
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-4-carboxamide
CID 43711892
ethyl 4-[(3-aminocyclohexanecarbonyl)amino]piperidine-1-carboxylate
CID 62776469
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
CID 108989873
2-hydroxyethyl 4-(cyclopropanecarbonylamino)piperidine-1-carboxylate
CID 79346721
ethyl 4-(piperidine-1-carbonylamino)piperidine-1-carboxylate
CID 108987901
ethyl 4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoate
CID 60758306
ethyl 4-(methylcarbamoyl)piperidine-1-carboxylate
CID 60637131
ethyl 4-(pyrrolidine-3-carbonylamino)cyclohexane-1-carboxylate;hydrochloride
CID 119738217
ethyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate
CID 47103610

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(piperidine-4-carbonylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(piperidine-4-carbonylamino)piperidine-1-carboxylate (CID 24699538) is ethyl 4-(piperidine-4-carbonylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(piperidine-4-carbonylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(piperidine-4-carbonylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)C2CCNCC2)CC1.
What is the InChIKey of ethyl 4-(piperidine-4-carbonylamino)piperidine-1-carboxylate?
The InChIKey is VOUKXDCGQJKAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-2-20-14(19)17-9-5-12(6-10-17)16-13(18)11-3-7-15-8-4-11/h11-12,15H,2-10H2,1H3,(H,16,18).
What are the key properties of ethyl 4-(piperidine-4-carbonylamino)piperidine-1-carboxylate?
ethyl 4-(piperidine-4-carbonylamino)piperidine-1-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(piperidine-4-carbonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 24699538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).