ethyl 4-[(1-phenylcyclobutyl)carbamoylamino]piperidine-1-carboxylate

C19H27N3O3 — CID 113216947

IUPACethyl 4-[(1-phenylcyclobutyl)carbamoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)NC2(c3ccccc3)CCC2)CC1
InChIInChI=1S/C19H27N3O3/c1-2-25-18(24)22-13-9-16(10-14-22)20-17(23)21-19(11-6-12-19)15-7-4-3-5-8-15/h3-5,7-8,16H,2,6,9-14H2,1H3,(H2,20,21,23)
InChIKeyXUEOOQHJOIIVNJ-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.99
Rot. Bonds4

About ethyl 4-[(1-phenylcyclobutyl)carbamoylamino]piperidine-1-carboxylate

ethyl 4-[(1-phenylcyclobutyl)carbamoylamino]piperidine-1-carboxylate (PubChem CID 113216947) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is ethyl 4-[(1-phenylcyclobutyl)carbamoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(1-phenylcyclobutyl)carbamoylamino]piperidine-1-carboxylate
PubChem CID113216947
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Nameethyl 4-[(1-phenylcyclobutyl)carbamoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)NC2(c3ccccc3)CCC2)CC1
InChIInChI=1S/C19H27N3O3/c1-2-25-18(24)22-13-9-16(10-14-22)20-17(23)21-19(11-6-12-19)15-7-4-3-5-8-15/h3-5,7-8,16H,2,6,9-14H2,1H3,(H2,20,21,23)
InChIKeyXUEOOQHJOIIVNJ-UHFFFAOYSA-N
XLogP2.99
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate
CID 55472237
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
benzyl 4-(methylcarbamoylamino)-4-phenylpiperidine-1-carboxylate
CID 18414365
ethyl N-(1-phenylcyclopentyl)carbamate
CID 110445044
ethyl 4-(3-phenylbutylcarbamoylamino)piperidine-1-carboxylate
CID 60614184
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-(3-phenoxypropanoylamino)piperidine-1-carboxylate
CID 31542229
ethyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate
CID 47103610
ethyl 4-[[2-(3-phenylpropylamino)acetyl]amino]piperidine-1-carboxylate
CID 109003707
ethyl 4-[[2-(dimethylamino)-2-phenylacetyl]amino]piperidine-1-carboxylate
CID 47840553
ethyl 4-[[N'-[(1-benzylcyclopentyl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 110004826
ethyl 4-[[1-(dimethylamino)-3-phenylpropan-2-yl]carbamoylamino]piperidine-1-carboxylate
CID 60547220

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-phenylcyclobutyl)carbamoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(1-phenylcyclobutyl)carbamoylamino]piperidine-1-carboxylate (CID 113216947) is ethyl 4-[(1-phenylcyclobutyl)carbamoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(1-phenylcyclobutyl)carbamoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(1-phenylcyclobutyl)carbamoylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)NC2(c3ccccc3)CCC2)CC1.
What is the InChIKey of ethyl 4-[(1-phenylcyclobutyl)carbamoylamino]piperidine-1-carboxylate?
The InChIKey is XUEOOQHJOIIVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-2-25-18(24)22-13-9-16(10-14-22)20-17(23)21-19(11-6-12-19)15-7-4-3-5-8-15/h3-5,7-8,16H,2,6,9-14H2,1H3,(H2,20,21,23).
What are the key properties of ethyl 4-[(1-phenylcyclobutyl)carbamoylamino]piperidine-1-carboxylate?
ethyl 4-[(1-phenylcyclobutyl)carbamoylamino]piperidine-1-carboxylate has a molecular weight of 345.44 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-phenylcyclobutyl)carbamoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 113216947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).