ethyl 4-(3-pyridin-2-ylpropanoyl)piperazine-1-carboxylate

C15H21N3O3 — CID 110389199

IUPACethyl 4-(3-pyridin-2-ylpropanoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCc2ccccn2)CC1
InChIInChI=1S/C15H21N3O3/c1-2-21-15(20)18-11-9-17(10-12-18)14(19)7-6-13-5-3-4-8-16-13/h3-5,8H,2,6-7,9-12H2,1H3
InChIKeyDXRFBJGWTLKWKK-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.31
Rot. Bonds4

About ethyl 4-(3-pyridin-2-ylpropanoyl)piperazine-1-carboxylate

ethyl 4-(3-pyridin-2-ylpropanoyl)piperazine-1-carboxylate (PubChem CID 110389199) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is ethyl 4-(3-pyridin-2-ylpropanoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-pyridin-2-ylpropanoyl)piperazine-1-carboxylate
PubChem CID110389199
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Nameethyl 4-(3-pyridin-2-ylpropanoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCc2ccccn2)CC1
InChIInChI=1S/C15H21N3O3/c1-2-21-15(20)18-11-9-17(10-12-18)14(19)7-6-13-5-3-4-8-16-13/h3-5,8H,2,6-7,9-12H2,1H3
InChIKeyDXRFBJGWTLKWKK-UHFFFAOYSA-N
XLogP1.31
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one
CID 84583378
ethyl 4-[3-(1,3-oxazol-4-yl)propanoyl]piperazine-1-carboxylate
CID 110679013
ethyl 4-[3-(2-methylphenyl)propanoyl]piperazine-1-carboxylate
CID 110756038
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 110389220
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 136534066
ethyl 4-[3-(4-methylphenyl)propanoyl]piperazine-1-carboxylate
CID 41455579
4-phenyl-1-(3-pyridin-2-ylpropanoyl)piperidine-4-carboxylic acid
CID 120613659
3-pyridin-2-ylpropyl 4-(2-methylphenyl)piperazine-1-carboxylate
CID 6733850
ethyl 4-[4-(pyridin-2-ylmethylcarbamoyl)benzoyl]piperazine-1-carboxylate
CID 109047539
1-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridin-2-ylpropan-1-one
CID 112534839
ethyl 12-pyridin-2-yldodecanoate
CID 3298183
ethyl 4-[3-(1-methylpyrrol-2-yl)propanoyl]piperazine-1-carboxylate
CID 110700700

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-pyridin-2-ylpropanoyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(3-pyridin-2-ylpropanoyl)piperazine-1-carboxylate (CID 110389199) is ethyl 4-(3-pyridin-2-ylpropanoyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(3-pyridin-2-ylpropanoyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(3-pyridin-2-ylpropanoyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CCc2ccccn2)CC1.
What is the InChIKey of ethyl 4-(3-pyridin-2-ylpropanoyl)piperazine-1-carboxylate?
The InChIKey is DXRFBJGWTLKWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-21-15(20)18-11-9-17(10-12-18)14(19)7-6-13-5-3-4-8-16-13/h3-5,8H,2,6-7,9-12H2,1H3.
What are the key properties of ethyl 4-(3-pyridin-2-ylpropanoyl)piperazine-1-carboxylate?
ethyl 4-(3-pyridin-2-ylpropanoyl)piperazine-1-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-pyridin-2-ylpropanoyl)piperazine-1-carboxylate is sourced from PubChem (CID 110389199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).