ethyl 4-[[2-(4-acetamidoanilino)acetyl]amino]piperidine-1-carboxylate

C18H26N4O4 — CID 109003769

IUPACethyl 4-[[2-(4-acetamidoanilino)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CNc2ccc(NC(C)=O)cc2)CC1
InChIInChI=1S/C18H26N4O4/c1-3-26-18(25)22-10-8-16(9-11-22)21-17(24)12-19-14-4-6-15(7-5-14)20-13(2)23/h4-7,16,19H,3,8-12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyHCDQSFCXCZKHJL-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.79
Rot. Bonds6

About ethyl 4-[[2-(4-acetamidoanilino)acetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(4-acetamidoanilino)acetyl]amino]piperidine-1-carboxylate (PubChem CID 109003769) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is ethyl 4-[[2-(4-acetamidoanilino)acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(4-acetamidoanilino)acetyl]amino]piperidine-1-carboxylate
PubChem CID109003769
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Nameethyl 4-[[2-(4-acetamidoanilino)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CNc2ccc(NC(C)=O)cc2)CC1
InChIInChI=1S/C18H26N4O4/c1-3-26-18(25)22-10-8-16(9-11-22)21-17(24)12-19-14-4-6-15(7-5-14)20-13(2)23/h4-7,16,19H,3,8-12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyHCDQSFCXCZKHJL-UHFFFAOYSA-N
XLogP1.79
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003659
ethyl 4-[[2-(1,3-benzodioxol-5-ylamino)acetyl]amino]piperidine-1-carboxylate
CID 109003787
ethyl 4-[[2-(3-methoxyanilino)acetyl]amino]piperidine-1-carboxylate
CID 109003753
ethyl 4-[3-(4-tert-butylanilino)propanoylamino]piperidine-1-carboxylate
CID 109028844
ethyl 4-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]piperidine-1-carboxylate
CID 108865690
ethyl 4-[[2-(3-methoxycarbonylanilino)acetyl]amino]piperidine-1-carboxylate
CID 109003771
ethyl 4-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003626
ethyl 4-[[3-(4-cyanoanilino)-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108950286
ethyl 4-[(3-acetamidobenzoyl)amino]piperidine-1-carboxylate
CID 9451154
ethyl 4-[3-[4-(trifluoromethyl)anilino]propanoylamino]piperidine-1-carboxylate
CID 109028870
ethyl 4-[3-[4-(dimethylamino)anilino]propanoylamino]piperidine-1-carboxylate
CID 109028878
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(4-acetamidoanilino)acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(4-acetamidoanilino)acetyl]amino]piperidine-1-carboxylate (CID 109003769) is ethyl 4-[[2-(4-acetamidoanilino)acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(4-acetamidoanilino)acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(4-acetamidoanilino)acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CNc2ccc(NC(C)=O)cc2)CC1.
What is the InChIKey of ethyl 4-[[2-(4-acetamidoanilino)acetyl]amino]piperidine-1-carboxylate?
The InChIKey is HCDQSFCXCZKHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-3-26-18(25)22-10-8-16(9-11-22)21-17(24)12-19-14-4-6-15(7-5-14)20-13(2)23/h4-7,16,19H,3,8-12H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of ethyl 4-[[2-(4-acetamidoanilino)acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(4-acetamidoanilino)acetyl]amino]piperidine-1-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(4-acetamidoanilino)acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109003769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).