phenyl 4-[3-(diethylamino)propanoyl]piperazine-1-carboxylate

C18H27N3O3 — CID 110603452

IUPACphenyl 4-[3-(diethylamino)propanoyl]piperazine-1-carboxylate
SMILESCCN(CC)CCC(=O)N1CCN(C(=O)Oc2ccccc2)CC1
InChIInChI=1S/C18H27N3O3/c1-3-19(4-2)11-10-17(22)20-12-14-21(15-13-20)18(23)24-16-8-6-5-7-9-16/h5-9H,3-4,10-15H2,1-2H3
InChIKeyZUAIQTUNWGXFGK-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.06
Rot. Bonds6

About phenyl 4-[3-(diethylamino)propanoyl]piperazine-1-carboxylate

phenyl 4-[3-(diethylamino)propanoyl]piperazine-1-carboxylate (PubChem CID 110603452) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is phenyl 4-[3-(diethylamino)propanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-[3-(diethylamino)propanoyl]piperazine-1-carboxylate
PubChem CID110603452
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Namephenyl 4-[3-(diethylamino)propanoyl]piperazine-1-carboxylate
SMILESCCN(CC)CCC(=O)N1CCN(C(=O)Oc2ccccc2)CC1
InChIInChI=1S/C18H27N3O3/c1-3-19(4-2)11-10-17(22)20-12-14-21(15-13-20)18(23)24-16-8-6-5-7-9-16/h5-9H,3-4,10-15H2,1-2H3
InChIKeyZUAIQTUNWGXFGK-UHFFFAOYSA-N
XLogP2.06
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl 4-propanoylpiperazine-1-carboxylate
CID 46228295
3-[benzyl(ethyl)amino]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017462
1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 110611618
3-(diethylamino)-1-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 110603433
phenyl 4-(2-cyanoacetyl)piperazine-1-carboxylate
CID 108567480
phenyl 4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 110365947
4-(2-chlorophenyl)-1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]butan-1-one
CID 110423196
3-[benzyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980297
phenyl 4-tert-butylpiperazine-1-carboxylate
CID 61068784
phenyl 4-(2-benzamidoacetyl)piperazine-1-carboxylate
CID 110803551
phenyl 4-[2-(1-methylpyrrol-3-yl)acetyl]piperazine-1-carboxylate
CID 110803602
phenyl 4-methyl-1,4-diazepane-1-carboxylate
CID 60637805

Frequently Asked Questions

What is the IUPAC name of phenyl 4-[3-(diethylamino)propanoyl]piperazine-1-carboxylate?
The IUPAC name of phenyl 4-[3-(diethylamino)propanoyl]piperazine-1-carboxylate (CID 110603452) is phenyl 4-[3-(diethylamino)propanoyl]piperazine-1-carboxylate.
What is the SMILES notation for phenyl 4-[3-(diethylamino)propanoyl]piperazine-1-carboxylate?
The canonical SMILES for phenyl 4-[3-(diethylamino)propanoyl]piperazine-1-carboxylate is CCN(CC)CCC(=O)N1CCN(C(=O)Oc2ccccc2)CC1.
What is the InChIKey of phenyl 4-[3-(diethylamino)propanoyl]piperazine-1-carboxylate?
The InChIKey is ZUAIQTUNWGXFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-3-19(4-2)11-10-17(22)20-12-14-21(15-13-20)18(23)24-16-8-6-5-7-9-16/h5-9H,3-4,10-15H2,1-2H3.
What are the key properties of phenyl 4-[3-(diethylamino)propanoyl]piperazine-1-carboxylate?
phenyl 4-[3-(diethylamino)propanoyl]piperazine-1-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-[3-(diethylamino)propanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 110603452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).