ethyl 4-[[4-[2-(diethylamino)ethyl]phenyl]carbamoylamino]piperidine-1-carboxylate

C21H34N4O3 — CID 119049002

IUPACethyl 4-[[4-[2-(diethylamino)ethyl]phenyl]carbamoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Nc2ccc(CCN(CC)CC)cc2)CC1
InChIInChI=1S/C21H34N4O3/c1-4-24(5-2)14-11-17-7-9-18(10-8-17)22-20(26)23-19-12-15-25(16-13-19)21(27)28-6-3/h7-10,19H,4-6,11-16H2,1-3H3,(H2,22,23,26)
InChIKeyVXPXURWGVKWBEZ-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.31
Rot. Bonds8

About ethyl 4-[[4-[2-(diethylamino)ethyl]phenyl]carbamoylamino]piperidine-1-carboxylate

ethyl 4-[[4-[2-(diethylamino)ethyl]phenyl]carbamoylamino]piperidine-1-carboxylate (PubChem CID 119049002) has the molecular formula C21H34N4O3 and a molecular weight of 390.53 g/mol. Its IUPAC name is ethyl 4-[[4-[2-(diethylamino)ethyl]phenyl]carbamoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-[2-(diethylamino)ethyl]phenyl]carbamoylamino]piperidine-1-carboxylate
PubChem CID119049002
Molecular FormulaC21H34N4O3
Molecular Weight390.53 g/mol
Exact Mass390.26
IUPAC Nameethyl 4-[[4-[2-(diethylamino)ethyl]phenyl]carbamoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Nc2ccc(CCN(CC)CC)cc2)CC1
InChIInChI=1S/C21H34N4O3/c1-4-24(5-2)14-11-17-7-9-18(10-8-17)22-20(26)23-19-12-15-25(16-13-19)21(27)28-6-3/h7-10,19H,4-6,11-16H2,1-3H3,(H2,22,23,26)
InChIKeyVXPXURWGVKWBEZ-UHFFFAOYSA-N
XLogP3.31
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[[4-[2-(diethylamino)ethyl]phenyl]carbamoylamino]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]piperidine-1-carboxylate
CID 108865690
ethyl 4-[[4-(diethylamino)phenyl]carbamothioylamino]piperidine-1-carboxylate
CID 3592597
ethyl 4-[2-(4-methylphenyl)ethylcarbamoylamino]piperidine-1-carboxylate
CID 108891194
ethyl 4-[[4-(2-methyltetrazol-5-yl)phenyl]carbamoylamino]piperidine-1-carboxylate
CID 72927518
ethyl 4-[(3-iodophenyl)carbamoylamino]piperidine-1-carboxylate
CID 5146893
ethyl 4-[(3-chlorophenyl)carbamoylamino]piperidine-1-carboxylate
CID 17423931
ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate
CID 24554705
ethyl 4-[(4-chloro-3-methoxycarbonylphenyl)carbamoylamino]piperidine-1-carboxylate
CID 47040600
ethyl 4-[(3-chloro-4-methoxyphenyl)carbamoylamino]piperidine-1-carboxylate
CID 108989901
ethyl 4-[(3-fluoro-4-methoxyphenyl)carbamoylamino]piperidine-1-carboxylate
CID 51082659
ethyl 4-[(2,6-dichloro-4-pyridinyl)carbamoylamino]piperidine-1-carboxylate
CID 23876750
ethyl 4-[[2-(4-acetamidoanilino)acetyl]amino]piperidine-1-carboxylate
CID 109003769

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-[2-(diethylamino)ethyl]phenyl]carbamoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[4-[2-(diethylamino)ethyl]phenyl]carbamoylamino]piperidine-1-carboxylate (CID 119049002) is ethyl 4-[[4-[2-(diethylamino)ethyl]phenyl]carbamoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[4-[2-(diethylamino)ethyl]phenyl]carbamoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[4-[2-(diethylamino)ethyl]phenyl]carbamoylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)Nc2ccc(CCN(CC)CC)cc2)CC1.
What is the InChIKey of ethyl 4-[[4-[2-(diethylamino)ethyl]phenyl]carbamoylamino]piperidine-1-carboxylate?
The InChIKey is VXPXURWGVKWBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O3/c1-4-24(5-2)14-11-17-7-9-18(10-8-17)22-20(26)23-19-12-15-25(16-13-19)21(27)28-6-3/h7-10,19H,4-6,11-16H2,1-3H3,(H2,22,23,26).
What are the key properties of ethyl 4-[[4-[2-(diethylamino)ethyl]phenyl]carbamoylamino]piperidine-1-carboxylate?
ethyl 4-[[4-[2-(diethylamino)ethyl]phenyl]carbamoylamino]piperidine-1-carboxylate has a molecular weight of 390.53 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-[2-(diethylamino)ethyl]phenyl]carbamoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 119049002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).