ethyl 4-[[4-(propan-2-ylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate

C19H33N3O4 — CID 109144510

IUPACethyl 4-[[4-(propan-2-ylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CCC(C(=O)NC(C)C)CC2)CC1
InChIInChI=1S/C19H33N3O4/c1-4-26-19(25)22-11-9-16(10-12-22)21-18(24)15-7-5-14(6-8-15)17(23)20-13(2)3/h13-16H,4-12H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyCMAMDNLQCFTVLA-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.05
Rot. Bonds5

About ethyl 4-[[4-(propan-2-ylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[4-(propan-2-ylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate (PubChem CID 109144510) has the molecular formula C19H33N3O4 and a molecular weight of 367.49 g/mol. Its IUPAC name is ethyl 4-[[4-(propan-2-ylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-(propan-2-ylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate
PubChem CID109144510
Molecular FormulaC19H33N3O4
Molecular Weight367.49 g/mol
Exact Mass367.25
IUPAC Nameethyl 4-[[4-(propan-2-ylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CCC(C(=O)NC(C)C)CC2)CC1
InChIInChI=1S/C19H33N3O4/c1-4-26-19(25)22-11-9-16(10-12-22)21-18(24)15-7-5-14(6-8-15)17(23)20-13(2)3/h13-16H,4-12H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyCMAMDNLQCFTVLA-UHFFFAOYSA-N
XLogP2.05
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[[4-(propan-2-ylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 51165095
ethyl 4-[[4-(tert-butylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate
CID 109149356
ethyl 4-(piperidine-4-carbonylamino)piperidine-1-carboxylate
CID 24699538
ethyl 4-[(3-aminocyclohexanecarbonyl)amino]piperidine-1-carboxylate
CID 62776469
ethyl 4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carboxylate
CID 28586107
ethyl 4-(piperidine-1-carbonylamino)piperidine-1-carboxylate
CID 108987901
2-hydroxyethyl 4-(cyclopropanecarbonylamino)piperidine-1-carboxylate
CID 79346721
ethyl 4-(2-bromopropanoylamino)piperidine-1-carboxylate
CID 103693309
ethyl 4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoate
CID 60758306
ethyl 4-[[N'-(2-methylpropyl)carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 110912111
2-methylpropyl 4-(propanoylamino)piperidine-1-carboxylate
CID 108562132
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
CID 108989873

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-(propan-2-ylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[4-(propan-2-ylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate (CID 109144510) is ethyl 4-[[4-(propan-2-ylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[4-(propan-2-ylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[4-(propan-2-ylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)C2CCC(C(=O)NC(C)C)CC2)CC1.
What is the InChIKey of ethyl 4-[[4-(propan-2-ylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate?
The InChIKey is CMAMDNLQCFTVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O4/c1-4-26-19(25)22-11-9-16(10-12-22)21-18(24)15-7-5-14(6-8-15)17(23)20-13(2)3/h13-16H,4-12H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of ethyl 4-[[4-(propan-2-ylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[4-(propan-2-ylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate has a molecular weight of 367.49 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-(propan-2-ylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109144510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).