ethyl 4-[(3-aminocyclohexanecarbonyl)amino]piperidine-1-carboxylate

C15H27N3O3 — CID 62776469

IUPACethyl 4-[(3-aminocyclohexanecarbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CCCC(N)C2)CC1
InChIInChI=1S/C15H27N3O3/c1-2-21-15(20)18-8-6-13(7-9-18)17-14(19)11-4-3-5-12(16)10-11/h11-13H,2-10,16H2,1H3,(H,17,19)
InChIKeyKTCJMWNIXXRINP-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.24
Rot. Bonds3

About ethyl 4-[(3-aminocyclohexanecarbonyl)amino]piperidine-1-carboxylate

ethyl 4-[(3-aminocyclohexanecarbonyl)amino]piperidine-1-carboxylate (PubChem CID 62776469) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is ethyl 4-[(3-aminocyclohexanecarbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-aminocyclohexanecarbonyl)amino]piperidine-1-carboxylate
PubChem CID62776469
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Nameethyl 4-[(3-aminocyclohexanecarbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CCCC(N)C2)CC1
InChIInChI=1S/C15H27N3O3/c1-2-21-15(20)18-8-6-13(7-9-18)17-14(19)11-4-3-5-12(16)10-11/h11-13H,2-10,16H2,1H3,(H,17,19)
InChIKeyKTCJMWNIXXRINP-UHFFFAOYSA-N
XLogP1.24
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 62775601
3-amino-N-cyclopropylcyclohexane-1-carboxamide
CID 18071393
ethyl 4-[[4-(propan-2-ylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate
CID 109144510
ethyl 4-(piperidine-4-carbonylamino)piperidine-1-carboxylate
CID 24699538
ethyl 4-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 51165095
3-amino-N-[1-(2-methoxyethyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119861345
3-amino-N-[1-(2-methylpropyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119841086
3-amino-N-[1-(2-phenylbutanoyl)piperidin-4-yl]cyclohexane-1-carboxamide
CID 119763642
ethyl 4-[[4-(tert-butylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate
CID 109149356
ethyl 4-(piperidine-1-carbonylamino)piperidine-1-carboxylate
CID 108987901
3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]cyclohexane-1-carboxamide
CID 119763933
3-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119868631

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-aminocyclohexanecarbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(3-aminocyclohexanecarbonyl)amino]piperidine-1-carboxylate (CID 62776469) is ethyl 4-[(3-aminocyclohexanecarbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3-aminocyclohexanecarbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3-aminocyclohexanecarbonyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)C2CCCC(N)C2)CC1.
What is the InChIKey of ethyl 4-[(3-aminocyclohexanecarbonyl)amino]piperidine-1-carboxylate?
The InChIKey is KTCJMWNIXXRINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-2-21-15(20)18-8-6-13(7-9-18)17-14(19)11-4-3-5-12(16)10-11/h11-13H,2-10,16H2,1H3,(H,17,19).
What are the key properties of ethyl 4-[(3-aminocyclohexanecarbonyl)amino]piperidine-1-carboxylate?
ethyl 4-[(3-aminocyclohexanecarbonyl)amino]piperidine-1-carboxylate has a molecular weight of 297.40 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-aminocyclohexanecarbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 62776469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).