ethyl 1-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]cyclohexane-1-carboxylate

C19H30N2O4 — CID 55981314

IUPACethyl 1-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)C2CCCN(C(=O)C3CC3)C2)CCCCC1
InChIInChI=1S/C19H30N2O4/c1-2-25-18(24)19(10-4-3-5-11-19)20-16(22)15-7-6-12-21(13-15)17(23)14-8-9-14/h14-15H,2-13H2,1H3,(H,20,22)
InChIKeyZWMWDLUGPOKVLX-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.02
Rot. Bonds5

About ethyl 1-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]cyclohexane-1-carboxylate

ethyl 1-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]cyclohexane-1-carboxylate (PubChem CID 55981314) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is ethyl 1-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]cyclohexane-1-carboxylate
PubChem CID55981314
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Nameethyl 1-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)C2CCCN(C(=O)C3CC3)C2)CCCCC1
InChIInChI=1S/C19H30N2O4/c1-2-25-18(24)19(10-4-3-5-11-19)20-16(22)15-7-6-12-21(13-15)17(23)14-8-9-14/h14-15H,2-13H2,1H3,(H,20,22)
InChIKeyZWMWDLUGPOKVLX-UHFFFAOYSA-N
XLogP2.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-1,3-dihydroindene-2-carboxylate
CID 71934706
methyl 1-[[(3R)-1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylate
CID 52514979
ethyl 1-[(1-propylsulfonylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 55801599
1-(cyclopropanecarbonyl)-N-[(1-propylcyclopropyl)methyl]piperidine-3-carboxamide
CID 71919155
2-[1-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]cyclopropyl]acetic acid
CID 167826404
N-(2-amino-2-oxoethoxy)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 112550543
ethyl 1-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]cyclopentane-1-carboxylate
CID 86835731
1-[(1-carbamoylpiperidine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81164173
N-(2-amino-2-ethylbutyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 119643117
1-(cyclopropanecarbonyl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 47030909
3-(3-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103549686
1-acetyl-N-[1-(aminomethyl)cyclopentyl]piperidine-3-carboxamide
CID 119565447

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 1-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]cyclohexane-1-carboxylate (CID 55981314) is ethyl 1-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 1-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 1-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]cyclohexane-1-carboxylate is CCOC(=O)C1(NC(=O)C2CCCN(C(=O)C3CC3)C2)CCCCC1.
What is the InChIKey of ethyl 1-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]cyclohexane-1-carboxylate?
The InChIKey is ZWMWDLUGPOKVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-2-25-18(24)19(10-4-3-5-11-19)20-16(22)15-7-6-12-21(13-15)17(23)14-8-9-14/h14-15H,2-13H2,1H3,(H,20,22).
What are the key properties of ethyl 1-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]cyclohexane-1-carboxylate?
ethyl 1-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]cyclohexane-1-carboxylate has a molecular weight of 350.46 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 55981314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).