cyclopentyl (2S)-4-methyl-2-(piperidin-4-ylamino)pentanoate

C16H30N2O2 — CID 70302796

IUPACcyclopentyl (2S)-4-methyl-2-(piperidin-4-ylamino)pentanoate
SMILESCC(C)C[C@H](NC1CCNCC1)C(=O)OC1CCCC1
InChIInChI=1S/C16H30N2O2/c1-12(2)11-15(18-13-7-9-17-10-8-13)16(19)20-14-5-3-4-6-14/h12-15,17-18H,3-11H2,1-2H3/t15-/m0/s1
InChIKeyPWTSWXQVOLUOMA-HNNXBMFYSA-N
MW282.43 g/mol
LogP2.23
Rot. Bonds6

About cyclopentyl (2S)-4-methyl-2-(piperidin-4-ylamino)pentanoate

cyclopentyl (2S)-4-methyl-2-(piperidin-4-ylamino)pentanoate (PubChem CID 70302796) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is cyclopentyl (2S)-4-methyl-2-(piperidin-4-ylamino)pentanoate.

Molecular Properties

Compound Namecyclopentyl (2S)-4-methyl-2-(piperidin-4-ylamino)pentanoate
PubChem CID70302796
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Namecyclopentyl (2S)-4-methyl-2-(piperidin-4-ylamino)pentanoate
SMILESCC(C)C[C@H](NC1CCNCC1)C(=O)OC1CCCC1
InChIInChI=1S/C16H30N2O2/c1-12(2)11-15(18-13-7-9-17-10-8-13)16(19)20-14-5-3-4-6-14/h12-15,17-18H,3-11H2,1-2H3/t15-/m0/s1
InChIKeyPWTSWXQVOLUOMA-HNNXBMFYSA-N
XLogP2.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl (2S)-4-methyl-2-(piperidin-4-ylamino)pentanoate?
The IUPAC name of cyclopentyl (2S)-4-methyl-2-(piperidin-4-ylamino)pentanoate (CID 70302796) is cyclopentyl (2S)-4-methyl-2-(piperidin-4-ylamino)pentanoate.
What is the SMILES notation for cyclopentyl (2S)-4-methyl-2-(piperidin-4-ylamino)pentanoate?
The canonical SMILES for cyclopentyl (2S)-4-methyl-2-(piperidin-4-ylamino)pentanoate is CC(C)C[C@H](NC1CCNCC1)C(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl (2S)-4-methyl-2-(piperidin-4-ylamino)pentanoate?
The InChIKey is PWTSWXQVOLUOMA-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12(2)11-15(18-13-7-9-17-10-8-13)16(19)20-14-5-3-4-6-14/h12-15,17-18H,3-11H2,1-2H3/t15-/m0/s1.
What are the key properties of cyclopentyl (2S)-4-methyl-2-(piperidin-4-ylamino)pentanoate?
cyclopentyl (2S)-4-methyl-2-(piperidin-4-ylamino)pentanoate has a molecular weight of 282.43 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl (2S)-4-methyl-2-(piperidin-4-ylamino)pentanoate is sourced from PubChem (CID 70302796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).