ethyl 4-[[4-(tert-butylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate

C20H35N3O4 — CID 109149356

IUPACethyl 4-[[4-(tert-butylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CCC(C(=O)NC(C)(C)C)CC2)CC1
InChIInChI=1S/C20H35N3O4/c1-5-27-19(26)23-12-10-16(11-13-23)21-17(24)14-6-8-15(9-7-14)18(25)22-20(2,3)4/h14-16H,5-13H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyDCJCYVKUTQWCKS-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.44
Rot. Bonds4

About ethyl 4-[[4-(tert-butylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[4-(tert-butylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate (PubChem CID 109149356) has the molecular formula C20H35N3O4 and a molecular weight of 381.52 g/mol. Its IUPAC name is ethyl 4-[[4-(tert-butylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-(tert-butylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate
PubChem CID109149356
Molecular FormulaC20H35N3O4
Molecular Weight381.52 g/mol
Exact Mass381.26
IUPAC Nameethyl 4-[[4-(tert-butylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CCC(C(=O)NC(C)(C)C)CC2)CC1
InChIInChI=1S/C20H35N3O4/c1-5-27-19(26)23-12-10-16(11-13-23)21-17(24)14-6-8-15(9-7-14)18(25)22-20(2,3)4/h14-16H,5-13H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyDCJCYVKUTQWCKS-UHFFFAOYSA-N
XLogP2.44
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.44
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-(piperidine-4-carbonylamino)piperidine-1-carboxylate
CID 24699538
N-tert-butyl-4-(cyclopropanecarbonylamino)piperidine-1-carboxamide
CID 110822420
2-hydroxyethyl 4-(cyclopropanecarbonylamino)piperidine-1-carboxylate
CID 79346721
ethyl 4-(3,3-dimethylbutanoylamino)piperidine-1-carboxylate
CID 110756025
ethyl 4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoate
CID 60758306
ethyl 4-[(3-aminocyclohexanecarbonyl)amino]piperidine-1-carboxylate
CID 62776469
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
CID 108989873
ethyl 4-(piperidine-1-carbonylamino)piperidine-1-carboxylate
CID 108987901
4-N-tert-butyl-1-N-cyclopropylpiperidine-1,4-dicarboxamide
CID 47238287
N-[1-[2-(tert-butylamino)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 112730369

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-(tert-butylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[4-(tert-butylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate (CID 109149356) is ethyl 4-[[4-(tert-butylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[4-(tert-butylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[4-(tert-butylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)C2CCC(C(=O)NC(C)(C)C)CC2)CC1.
What is the InChIKey of ethyl 4-[[4-(tert-butylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate?
The InChIKey is DCJCYVKUTQWCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O4/c1-5-27-19(26)23-12-10-16(11-13-23)21-17(24)14-6-8-15(9-7-14)18(25)22-20(2,3)4/h14-16H,5-13H2,1-4H3,(H,21,24)(H,22,25).
What are the key properties of ethyl 4-[[4-(tert-butylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[4-(tert-butylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate has a molecular weight of 381.52 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-(tert-butylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109149356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).