ethyl 4-[3-[4-(dimethylamino)anilino]propanoylamino]piperidine-1-carboxylate

C19H30N4O3 — CID 109028878

IUPACethyl 4-[3-[4-(dimethylamino)anilino]propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCNc2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C19H30N4O3/c1-4-26-19(25)23-13-10-16(11-14-23)21-18(24)9-12-20-15-5-7-17(8-6-15)22(2)3/h5-8,16,20H,4,9-14H2,1-3H3,(H,21,24)
InChIKeyDMBNGKPOYMTJTJ-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.29
Rot. Bonds7

About ethyl 4-[3-[4-(dimethylamino)anilino]propanoylamino]piperidine-1-carboxylate

ethyl 4-[3-[4-(dimethylamino)anilino]propanoylamino]piperidine-1-carboxylate (PubChem CID 109028878) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is ethyl 4-[3-[4-(dimethylamino)anilino]propanoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-[4-(dimethylamino)anilino]propanoylamino]piperidine-1-carboxylate
PubChem CID109028878
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Nameethyl 4-[3-[4-(dimethylamino)anilino]propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCNc2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C19H30N4O3/c1-4-26-19(25)23-13-10-16(11-14-23)21-18(24)9-12-20-15-5-7-17(8-6-15)22(2)3/h5-8,16,20H,4,9-14H2,1-3H3,(H,21,24)
InChIKeyDMBNGKPOYMTJTJ-UHFFFAOYSA-N
XLogP2.29
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[3-(4-tert-butylanilino)propanoylamino]piperidine-1-carboxylate
CID 109028844
ethyl 4-[3-[4-(trifluoromethyl)anilino]propanoylamino]piperidine-1-carboxylate
CID 109028870
ethyl 4-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]amino]-4-oxobutanoate
CID 108567069
ethyl 4-[[4-(dimethylamino)phenyl]methylcarbamoylamino]piperidine-1-carboxylate
CID 38949283
ethyl 4-[3-(2-ethylanilino)propanoylamino]piperidine-1-carboxylate
CID 109028834
ethyl 4-[3-(2,5-dimethylanilino)propanoylamino]piperidine-1-carboxylate
CID 109028829
ethyl 4-[[2-(4-acetamidoanilino)acetyl]amino]piperidine-1-carboxylate
CID 109003769
ethyl 4-[3-(N-acetyl-4-fluoroanilino)propanoylamino]piperidine-1-carboxylate
CID 113126879
ethyl 4-[4-[[4-(dimethylamino)benzoyl]amino]piperidin-1-yl]-4-oxobutanoate
CID 108562813
ethyl 4-[3-(2-cyanoanilino)propanoylamino]piperidine-1-carboxylate
CID 109028898
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[[2-(N-acetyl-3,4-dimethylanilino)acetyl]amino]piperidine-1-carboxylate
CID 113168296

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-[4-(dimethylamino)anilino]propanoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[3-[4-(dimethylamino)anilino]propanoylamino]piperidine-1-carboxylate (CID 109028878) is ethyl 4-[3-[4-(dimethylamino)anilino]propanoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-[4-(dimethylamino)anilino]propanoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-[4-(dimethylamino)anilino]propanoylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CCNc2ccc(N(C)C)cc2)CC1.
What is the InChIKey of ethyl 4-[3-[4-(dimethylamino)anilino]propanoylamino]piperidine-1-carboxylate?
The InChIKey is DMBNGKPOYMTJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-4-26-19(25)23-13-10-16(11-14-23)21-18(24)9-12-20-15-5-7-17(8-6-15)22(2)3/h5-8,16,20H,4,9-14H2,1-3H3,(H,21,24).
What are the key properties of ethyl 4-[3-[4-(dimethylamino)anilino]propanoylamino]piperidine-1-carboxylate?
ethyl 4-[3-[4-(dimethylamino)anilino]propanoylamino]piperidine-1-carboxylate has a molecular weight of 362.47 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-[4-(dimethylamino)anilino]propanoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 109028878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).