ethyl 1-(2-piperazin-1-ylpropanoyl)piperidine-2-carboxylate

C15H27N3O3 — CID 43648369

IUPACethyl 1-(2-piperazin-1-ylpropanoyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)C(C)N1CCNCC1
InChIInChI=1S/C15H27N3O3/c1-3-21-15(20)13-6-4-5-9-18(13)14(19)12(2)17-10-7-16-8-11-17/h12-13,16H,3-11H2,1-2H3
InChIKeyRDPSFMQFQISCBN-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.22
Rot. Bonds4

About ethyl 1-(2-piperazin-1-ylpropanoyl)piperidine-2-carboxylate

ethyl 1-(2-piperazin-1-ylpropanoyl)piperidine-2-carboxylate (PubChem CID 43648369) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is ethyl 1-(2-piperazin-1-ylpropanoyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-piperazin-1-ylpropanoyl)piperidine-2-carboxylate
PubChem CID43648369
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Nameethyl 1-(2-piperazin-1-ylpropanoyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)C(C)N1CCNCC1
InChIInChI=1S/C15H27N3O3/c1-3-21-15(20)13-6-4-5-9-18(13)14(19)12(2)17-10-7-16-8-11-17/h12-13,16H,3-11H2,1-2H3
InChIKeyRDPSFMQFQISCBN-UHFFFAOYSA-N
XLogP0.22
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(2-methoxypropanoyl)piperidine-2-carboxylate
CID 112688316
ethyl 1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate
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CID 78917554
1-(2-methylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one
CID 43130572
ethyl 1-[(2R)-2-amino-3,3-dimethylbutanoyl]piperidine-2-carboxylate
CID 103929382
ethyl 1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate
CID 55006105
ethyl 1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylate
CID 81128745
butyl (2S)-1-(2-methylpropanoyl)piperidine-2-carboxylate
CID 54008050
ethyl 1-(pyrrolidine-1-carbonyl)piperidine-2-carboxylate
CID 113331358
ethyl 1-(2-piperidin-3-ylacetyl)piperidine-2-carboxylate
CID 62676158
ethyl 1-[(2R)-2-amino-4-methylsulfanylbutanoyl]piperidine-2-carboxylate
CID 104907897
ethyl 1-(2-methoxypropanoyl)piperazine-2-carboxylate
CID 113265828

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-piperazin-1-ylpropanoyl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(2-piperazin-1-ylpropanoyl)piperidine-2-carboxylate (CID 43648369) is ethyl 1-(2-piperazin-1-ylpropanoyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(2-piperazin-1-ylpropanoyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(2-piperazin-1-ylpropanoyl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)C(C)N1CCNCC1.
What is the InChIKey of ethyl 1-(2-piperazin-1-ylpropanoyl)piperidine-2-carboxylate?
The InChIKey is RDPSFMQFQISCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-3-21-15(20)13-6-4-5-9-18(13)14(19)12(2)17-10-7-16-8-11-17/h12-13,16H,3-11H2,1-2H3.
What are the key properties of ethyl 1-(2-piperazin-1-ylpropanoyl)piperidine-2-carboxylate?
ethyl 1-(2-piperazin-1-ylpropanoyl)piperidine-2-carboxylate has a molecular weight of 297.40 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-piperazin-1-ylpropanoyl)piperidine-2-carboxylate is sourced from PubChem (CID 43648369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).