ethyl 4-(3-phenylbutylcarbamoylamino)piperidine-1-carboxylate

C19H29N3O3 — CID 60614184

IUPACethyl 4-(3-phenylbutylcarbamoylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)NCCC(C)c2ccccc2)CC1
InChIInChI=1S/C19H29N3O3/c1-3-25-19(24)22-13-10-17(11-14-22)21-18(23)20-12-9-15(2)16-7-5-4-6-8-16/h4-8,15,17H,3,9-14H2,1-2H3,(H2,20,21,23)
InChIKeyAYBJEFNYFZSYIK-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.10
Rot. Bonds6

About ethyl 4-(3-phenylbutylcarbamoylamino)piperidine-1-carboxylate

ethyl 4-(3-phenylbutylcarbamoylamino)piperidine-1-carboxylate (PubChem CID 60614184) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is ethyl 4-(3-phenylbutylcarbamoylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-phenylbutylcarbamoylamino)piperidine-1-carboxylate
PubChem CID60614184
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Nameethyl 4-(3-phenylbutylcarbamoylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)NCCC(C)c2ccccc2)CC1
InChIInChI=1S/C19H29N3O3/c1-3-25-19(24)22-13-10-17(11-14-22)21-18(23)20-12-9-15(2)16-7-5-4-6-8-16/h4-8,15,17H,3,9-14H2,1-2H3,(H2,20,21,23)
InChIKeyAYBJEFNYFZSYIK-UHFFFAOYSA-N
XLogP3.10
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[2-(4-methylphenyl)ethylcarbamoylamino]piperidine-1-carboxylate
CID 108891194
ethyl 4-[[2-(dimethylamino)-2-phenylacetyl]amino]piperidine-1-carboxylate
CID 47840553
ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate
CID 55472237
ethyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate
CID 47103610
ethyl 4-[1-(3-chlorophenyl)ethylcarbamoylamino]piperidine-1-carboxylate
CID 55457285
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[(6-phenylpyridazine-3-carbonyl)amino]piperidine-1-carboxylate
CID 113200571
ethyl 4-[[2-(1,2-diphenylethylamino)acetyl]amino]piperidine-1-carboxylate
CID 78818038
ethyl 4-[2-(4-tert-butylphenoxy)ethylcarbamoylamino]piperidine-1-carboxylate
CID 112972858
ethyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoylamino]piperidine-1-carboxylate
CID 108864537
ethyl 4-[[2-(4-propan-2-ylphenyl)acetyl]amino]piperidine-1-carboxylate
CID 110766816

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-phenylbutylcarbamoylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(3-phenylbutylcarbamoylamino)piperidine-1-carboxylate (CID 60614184) is ethyl 4-(3-phenylbutylcarbamoylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(3-phenylbutylcarbamoylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(3-phenylbutylcarbamoylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)NCCC(C)c2ccccc2)CC1.
What is the InChIKey of ethyl 4-(3-phenylbutylcarbamoylamino)piperidine-1-carboxylate?
The InChIKey is AYBJEFNYFZSYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-3-25-19(24)22-13-10-17(11-14-22)21-18(23)20-12-9-15(2)16-7-5-4-6-8-16/h4-8,15,17H,3,9-14H2,1-2H3,(H2,20,21,23).
What are the key properties of ethyl 4-(3-phenylbutylcarbamoylamino)piperidine-1-carboxylate?
ethyl 4-(3-phenylbutylcarbamoylamino)piperidine-1-carboxylate has a molecular weight of 347.46 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-phenylbutylcarbamoylamino)piperidine-1-carboxylate is sourced from PubChem (CID 60614184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).