ethyl 4-[[2-(propylcarbamoyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate

C16H27N3O4 — CID 109130477

IUPACethyl 4-[[2-(propylcarbamoyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate
SMILESCCCNC(=O)C1CC1C(=O)NC1CCN(C(=O)OCC)CC1
InChIInChI=1S/C16H27N3O4/c1-3-7-17-14(20)12-10-13(12)15(21)18-11-5-8-19(9-6-11)16(22)23-4-2/h11-13H,3-10H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyFJEXZQWLIMXXMB-UHFFFAOYSA-N
MW325.41 g/mol
LogP0.89
Rot. Bonds6

About ethyl 4-[[2-(propylcarbamoyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(propylcarbamoyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate (PubChem CID 109130477) has the molecular formula C16H27N3O4 and a molecular weight of 325.41 g/mol. Its IUPAC name is ethyl 4-[[2-(propylcarbamoyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(propylcarbamoyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate
PubChem CID109130477
Molecular FormulaC16H27N3O4
Molecular Weight325.41 g/mol
Exact Mass325.20
IUPAC Nameethyl 4-[[2-(propylcarbamoyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate
SMILESCCCNC(=O)C1CC1C(=O)NC1CCN(C(=O)OCC)CC1
InChIInChI=1S/C16H27N3O4/c1-3-7-17-14(20)12-10-13(12)15(21)18-11-5-8-19(9-6-11)16(22)23-4-2/h11-13H,3-10H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyFJEXZQWLIMXXMB-UHFFFAOYSA-N
XLogP0.89
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 3-(propan-2-ylcarbamoyl)piperidine-1-carboxylate
CID 47022655
Ethyl 4-{[(1-isobutyl-5-oxopyrrolidin-3-yl)carbonyl]amino}piperidine-1-carboxylate
CID 46596887
Ethyl 4-[(1-acetylpiperidine-4-carbonyl)amino]piperidine-1-carboxylate
CID 31339698
Ethyl 4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 32886385
ethyl 4-[[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 37001739
ethyl 4-[[(3R)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 37001740
ethyl (3R)-3-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate
CID 37722186
ethyl (3S)-3-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate
CID 37722190
Ethyl 3-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate
CID 42949130
Ethyl 4-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]piperidine-1-carboxylate
CID 45879369
Ethyl 4-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 45887155
ethyl N-[1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 46430922

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(propylcarbamoyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(propylcarbamoyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate (CID 109130477) is ethyl 4-[[2-(propylcarbamoyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(propylcarbamoyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(propylcarbamoyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate is CCCNC(=O)C1CC1C(=O)NC1CCN(C(=O)OCC)CC1.
What is the InChIKey of ethyl 4-[[2-(propylcarbamoyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate?
The InChIKey is FJEXZQWLIMXXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4/c1-3-7-17-14(20)12-10-13(12)15(21)18-11-5-8-19(9-6-11)16(22)23-4-2/h11-13H,3-10H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of ethyl 4-[[2-(propylcarbamoyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(propylcarbamoyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(propylcarbamoyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109130477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).