ethyl 4-[(3S)-1-(2-cyclopentylacetyl)piperidin-3-yl]piperazine-1-carboxylate

C19H33N3O3 — CID 30852003

IUPACethyl 4-[(3S)-1-(2-cyclopentylacetyl)piperidin-3-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN([C@H]2CCCN(C(=O)CC3CCCC3)C2)CC1
InChIInChI=1S/C19H33N3O3/c1-2-25-19(24)21-12-10-20(11-13-21)17-8-5-9-22(15-17)18(23)14-16-6-3-4-7-16/h16-17H,2-15H2,1H3/t17-/m0/s1
InChIKeyDDANYBPGHGNRHU-KRWDZBQOSA-N
MW351.49 g/mol
LogP2.33
Rot. Bonds4

About ethyl 4-[(3S)-1-(2-cyclopentylacetyl)piperidin-3-yl]piperazine-1-carboxylate

ethyl 4-[(3S)-1-(2-cyclopentylacetyl)piperidin-3-yl]piperazine-1-carboxylate (PubChem CID 30852003) has the molecular formula C19H33N3O3 and a molecular weight of 351.49 g/mol. Its IUPAC name is ethyl 4-[(3S)-1-(2-cyclopentylacetyl)piperidin-3-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3S)-1-(2-cyclopentylacetyl)piperidin-3-yl]piperazine-1-carboxylate
PubChem CID30852003
Molecular FormulaC19H33N3O3
Molecular Weight351.49 g/mol
Exact Mass351.25
IUPAC Nameethyl 4-[(3S)-1-(2-cyclopentylacetyl)piperidin-3-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN([C@H]2CCCN(C(=O)CC3CCCC3)C2)CC1
InChIInChI=1S/C19H33N3O3/c1-2-25-19(24)21-12-10-20(11-13-21)17-8-5-9-22(15-17)18(23)14-16-6-3-4-7-16/h16-17H,2-15H2,1H3/t17-/m0/s1
InChIKeyDDANYBPGHGNRHU-KRWDZBQOSA-N
XLogP2.33
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-ethyl 3-(cyclohexanecarboxamido)-1,4'-bipiperidine-1'-carboxylate
CID 46872062
ethyl 4-[(3R)-3-(cyclopentanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate
CID 46873656
Ethyl 4-(cyclohexylcarbonyl)piperazinecarboxylate
CID 750615
3-Cyclopentyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one
CID 806400
Ethyl 4-(3-cyclopentylpropanoyl)-1-piperazinecarboxylate
CID 976235
Ethyl 4-(4-cyclohexylbutanoyl)piperazine-1-carboxylate
CID 8195281
1-[4-(1-Cyclopentyl-2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-methylpropan-1-one
CID 24719804
1-[4-(1-Cyclopentyl-2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-methylbutan-1-one
CID 24719813
1-[4-(1-Cyclopentyl-2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 24719814
1-[4-[1-Cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one
CID 24719829
2-Cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 24719833
1-[4-[1-Cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-methylbutan-1-one
CID 24719854

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3S)-1-(2-cyclopentylacetyl)piperidin-3-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[(3S)-1-(2-cyclopentylacetyl)piperidin-3-yl]piperazine-1-carboxylate (CID 30852003) is ethyl 4-[(3S)-1-(2-cyclopentylacetyl)piperidin-3-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3S)-1-(2-cyclopentylacetyl)piperidin-3-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3S)-1-(2-cyclopentylacetyl)piperidin-3-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN([C@H]2CCCN(C(=O)CC3CCCC3)C2)CC1.
What is the InChIKey of ethyl 4-[(3S)-1-(2-cyclopentylacetyl)piperidin-3-yl]piperazine-1-carboxylate?
The InChIKey is DDANYBPGHGNRHU-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H33N3O3/c1-2-25-19(24)21-12-10-20(11-13-21)17-8-5-9-22(15-17)18(23)14-16-6-3-4-7-16/h16-17H,2-15H2,1H3/t17-/m0/s1.
What are the key properties of ethyl 4-[(3S)-1-(2-cyclopentylacetyl)piperidin-3-yl]piperazine-1-carboxylate?
ethyl 4-[(3S)-1-(2-cyclopentylacetyl)piperidin-3-yl]piperazine-1-carboxylate has a molecular weight of 351.49 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3S)-1-(2-cyclopentylacetyl)piperidin-3-yl]piperazine-1-carboxylate is sourced from PubChem (CID 30852003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).