ethyl 4-[3-(cyclopentanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate

C19H33N3O3 — CID 75239371

IUPACethyl 4-[3-(cyclopentanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCCC(NC(=O)C3CCCC3)C2)CC1
InChIInChI=1S/C19H33N3O3/c1-2-25-19(24)21-12-9-17(10-13-21)22-11-5-8-16(14-22)20-18(23)15-6-3-4-7-15/h15-17H,2-14H2,1H3,(H,20,23)
InChIKeyNTSQDFWSCSUPSQ-UHFFFAOYSA-N
MW351.49 g/mol
LogP2.38
Rot. Bonds4

About ethyl 4-[3-(cyclopentanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate

ethyl 4-[3-(cyclopentanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate (PubChem CID 75239371) has the molecular formula C19H33N3O3 and a molecular weight of 351.49 g/mol. Its IUPAC name is ethyl 4-[3-(cyclopentanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(cyclopentanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate
PubChem CID75239371
Molecular FormulaC19H33N3O3
Molecular Weight351.49 g/mol
Exact Mass351.25
IUPAC Nameethyl 4-[3-(cyclopentanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCCC(NC(=O)C3CCCC3)C2)CC1
InChIInChI=1S/C19H33N3O3/c1-2-25-19(24)21-12-9-17(10-13-21)22-11-5-8-16(14-22)20-18(23)15-6-3-4-7-15/h15-17H,2-14H2,1H3,(H,20,23)
InChIKeyNTSQDFWSCSUPSQ-UHFFFAOYSA-N
XLogP2.38
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(cyclopentanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(cyclopentanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate (CID 75239371) is ethyl 4-[3-(cyclopentanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(cyclopentanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(cyclopentanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCCC(NC(=O)C3CCCC3)C2)CC1.
What is the InChIKey of ethyl 4-[3-(cyclopentanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate?
The InChIKey is NTSQDFWSCSUPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3/c1-2-25-19(24)21-12-9-17(10-13-21)22-11-5-8-16(14-22)20-18(23)15-6-3-4-7-15/h15-17H,2-14H2,1H3,(H,20,23).
What are the key properties of ethyl 4-[3-(cyclopentanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate?
ethyl 4-[3-(cyclopentanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate has a molecular weight of 351.49 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(cyclopentanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 75239371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).