ethyl 4-[[3-(2-methoxycarbonylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate

C19H27N3O5 — CID 109028976

IUPACethyl 4-[[3-(2-methoxycarbonylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCC(=O)Nc2ccccc2C(=O)OC)CC1
InChIInChI=1S/C19H27N3O5/c1-3-27-19(25)22-12-9-14(10-13-22)20-11-8-17(23)21-16-7-5-4-6-15(16)18(24)26-2/h4-7,14,20H,3,8-13H2,1-2H3,(H,21,23)
InChIKeyBXTURYNGFKCLRE-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.01
Rot. Bonds7

About ethyl 4-[[3-(2-methoxycarbonylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate

ethyl 4-[[3-(2-methoxycarbonylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate (PubChem CID 109028976) has the molecular formula C19H27N3O5 and a molecular weight of 377.44 g/mol. Its IUPAC name is ethyl 4-[[3-(2-methoxycarbonylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[3-(2-methoxycarbonylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate
PubChem CID109028976
Molecular FormulaC19H27N3O5
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC Nameethyl 4-[[3-(2-methoxycarbonylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCC(=O)Nc2ccccc2C(=O)OC)CC1
InChIInChI=1S/C19H27N3O5/c1-3-27-19(25)22-12-9-14(10-13-22)20-11-8-17(23)21-16-7-5-4-6-15(16)18(24)26-2/h4-7,14,20H,3,8-13H2,1-2H3,(H,21,23)
InChIKeyBXTURYNGFKCLRE-UHFFFAOYSA-N
XLogP2.01
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[3-(2-chloroanilino)-3-oxopropyl]amino]piperidine-1-carboxylate
CID 109028946
ethyl 4-[[3-(2,6-diethylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate
CID 109028940
methyl 2-[[3-(2-ethoxycarbonylanilino)-3-oxopropyl]amino]benzoate
CID 109041371
ethyl 4-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]piperidine-1-carboxylate
CID 109025237
ethyl 4-[(3-ethoxy-3-oxopropyl)amino]piperidine-1-carboxylate
CID 43093103
methyl 2-[3-(butan-2-ylamino)propanoylamino]benzoate
CID 109013203
methyl 2-[3-(cyclopropylamino)propanoylamino]-5-fluorobenzoate
CID 60867845
ethyl 2-[3-(4-methylpiperidin-1-yl)propanoylamino]benzoate
CID 109014620
ethyl 4-[3-(2-ethylanilino)propanoylamino]piperidine-1-carboxylate
CID 109028834
3-(cyclopropylamino)-N-(2-ethylphenyl)propanamide
CID 60842650
ethyl 4-(2-ethoxyanilino)piperidine-1-carboxylate
CID 43758190
ethyl 4-(2-benzoylanilino)piperidine-1-carboxylate
CID 13450696

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-(2-methoxycarbonylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[3-(2-methoxycarbonylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate (CID 109028976) is ethyl 4-[[3-(2-methoxycarbonylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[3-(2-methoxycarbonylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[3-(2-methoxycarbonylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCCC(=O)Nc2ccccc2C(=O)OC)CC1.
What is the InChIKey of ethyl 4-[[3-(2-methoxycarbonylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate?
The InChIKey is BXTURYNGFKCLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5/c1-3-27-19(25)22-12-9-14(10-13-22)20-11-8-17(23)21-16-7-5-4-6-15(16)18(24)26-2/h4-7,14,20H,3,8-13H2,1-2H3,(H,21,23).
What are the key properties of ethyl 4-[[3-(2-methoxycarbonylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate?
ethyl 4-[[3-(2-methoxycarbonylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate has a molecular weight of 377.44 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3-(2-methoxycarbonylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109028976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).