ethyl 4-[2-[(4-chlorobenzoyl)amino]ethylamino]piperidine-1-carboxylate

C17H24ClN3O3 — CID 645621

IUPACethyl 4-[2-[(4-chlorobenzoyl)amino]ethylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCNC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H24ClN3O3/c1-2-24-17(23)21-11-7-15(8-12-21)19-9-10-20-16(22)13-3-5-14(18)6-4-13/h3-6,15,19H,2,7-12H2,1H3,(H,20,22)
InChIKeyIPVPLIZVICKGIL-UHFFFAOYSA-N
MW353.85 g/mol
LogP2.28
Rot. Bonds6

About ethyl 4-[2-[(4-chlorobenzoyl)amino]ethylamino]piperidine-1-carboxylate

ethyl 4-[2-[(4-chlorobenzoyl)amino]ethylamino]piperidine-1-carboxylate (PubChem CID 645621) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is ethyl 4-[2-[(4-chlorobenzoyl)amino]ethylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[(4-chlorobenzoyl)amino]ethylamino]piperidine-1-carboxylate
PubChem CID645621
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC Nameethyl 4-[2-[(4-chlorobenzoyl)amino]ethylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCNC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H24ClN3O3/c1-2-24-17(23)21-11-7-15(8-12-21)19-9-10-20-16(22)13-3-5-14(18)6-4-13/h3-6,15,19H,2,7-12H2,1H3,(H,20,22)
InChIKeyIPVPLIZVICKGIL-UHFFFAOYSA-N
XLogP2.28
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Moclobemide
CID 4235
Benzamide, N-(3R)-1-azabicyclo(2.2.2)oct-3-yl-4-chloro-, hydrochloride (1:1)
CID 11243536
Jnj-63533054
CID 2548547
4-Chloro-N-(3-(4-morpholinyl)propyl)benzamide
CID 65659
4-Chloro-N-(1-methylethyl)benzamide
CID 24045
1-(3-Chlorobenzoyl)piperazine
CID 1074765
1-(2-Chloro-benzoyl)-piperazine
CID 2060585
2,6-Dichloro-N-[1-(1-methylethyl)-4-piperidinyl]benzamide
CID 25236799
Benzamide derivative 11
CID 41306362
N-(2-amino-2-oxoethyl)-4-chlorobenzamide
CID 350021
1-(4-Chlorobenzoyl)-4-methylpiperazine
CID 792974
VU 0357017 Hydrochloride
CID 25010775

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[(4-chlorobenzoyl)amino]ethylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[(4-chlorobenzoyl)amino]ethylamino]piperidine-1-carboxylate (CID 645621) is ethyl 4-[2-[(4-chlorobenzoyl)amino]ethylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[(4-chlorobenzoyl)amino]ethylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[(4-chlorobenzoyl)amino]ethylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCCNC(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of ethyl 4-[2-[(4-chlorobenzoyl)amino]ethylamino]piperidine-1-carboxylate?
The InChIKey is IPVPLIZVICKGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O3/c1-2-24-17(23)21-11-7-15(8-12-21)19-9-10-20-16(22)13-3-5-14(18)6-4-13/h3-6,15,19H,2,7-12H2,1H3,(H,20,22).
What are the key properties of ethyl 4-[2-[(4-chlorobenzoyl)amino]ethylamino]piperidine-1-carboxylate?
ethyl 4-[2-[(4-chlorobenzoyl)amino]ethylamino]piperidine-1-carboxylate has a molecular weight of 353.85 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[(4-chlorobenzoyl)amino]ethylamino]piperidine-1-carboxylate is sourced from PubChem (CID 645621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).