cyclopentyl (2S)-2-cyclohexyl-2-[[1-[5-[1-(hydroxyamino)ethenyl]pyrimidin-2-yl]piperidin-4-yl]methylamino]acetate

C25H39N5O3 — CID 90305636

IUPACcyclopentyl (2S)-2-cyclohexyl-2-[[1-[5-[1-(hydroxyamino)ethenyl]pyrimidin-2-yl]piperidin-4-yl]methylamino]acetate
SMILESC=C(NO)c1cnc(N2CCC(CN[C@H](C(=O)OC3CCCC3)C3CCCCC3)CC2)nc1
InChIInChI=1S/C25H39N5O3/c1-18(29-32)21-16-27-25(28-17-21)30-13-11-19(12-14-30)15-26-23(20-7-3-2-4-8-20)24(31)33-22-9-5-6-10-22/h16-17,19-20,22-23,26,29,32H,1-15H2/t23-/m0/s1
InChIKeySOLYZIORIKUQHC-QHCPKHFHSA-N
MW457.62 g/mol
LogP3.67
Rot. Bonds9

About cyclopentyl (2S)-2-cyclohexyl-2-[[1-[5-[1-(hydroxyamino)ethenyl]pyrimidin-2-yl]piperidin-4-yl]methylamino]acetate

cyclopentyl (2S)-2-cyclohexyl-2-[[1-[5-[1-(hydroxyamino)ethenyl]pyrimidin-2-yl]piperidin-4-yl]methylamino]acetate (PubChem CID 90305636) has the molecular formula C25H39N5O3 and a molecular weight of 457.62 g/mol. Its IUPAC name is cyclopentyl (2S)-2-cyclohexyl-2-[[1-[5-[1-(hydroxyamino)ethenyl]pyrimidin-2-yl]piperidin-4-yl]methylamino]acetate.

Molecular Properties

Compound Namecyclopentyl (2S)-2-cyclohexyl-2-[[1-[5-[1-(hydroxyamino)ethenyl]pyrimidin-2-yl]piperidin-4-yl]methylamino]acetate
PubChem CID90305636
Molecular FormulaC25H39N5O3
Molecular Weight457.62 g/mol
Exact Mass457.31
IUPAC Namecyclopentyl (2S)-2-cyclohexyl-2-[[1-[5-[1-(hydroxyamino)ethenyl]pyrimidin-2-yl]piperidin-4-yl]methylamino]acetate
SMILESC=C(NO)c1cnc(N2CCC(CN[C@H](C(=O)OC3CCCC3)C3CCCCC3)CC2)nc1
InChIInChI=1S/C25H39N5O3/c1-18(29-32)21-16-27-25(28-17-21)30-13-11-19(12-14-30)15-26-23(20-7-3-2-4-8-20)24(31)33-22-9-5-6-10-22/h16-17,19-20,22-23,26,29,32H,1-15H2/t23-/m0/s1
InChIKeySOLYZIORIKUQHC-QHCPKHFHSA-N
XLogP3.67
TPSA99.61 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.62
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze cyclopentyl (2S)-2-cyclohexyl-2-[[1-[5-[1-(hydroxyamino)ethenyl]pyrimidin-2-yl]piperidin-4-yl]methylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopentyl (2S)-2-cyclohexyl-2-[[1-[5-[1-(hydroxyamino)ethenyl]pyrimidin-2-yl]piperidin-4-yl]methylamino]acetate?
The IUPAC name of cyclopentyl (2S)-2-cyclohexyl-2-[[1-[5-[1-(hydroxyamino)ethenyl]pyrimidin-2-yl]piperidin-4-yl]methylamino]acetate (CID 90305636) is cyclopentyl (2S)-2-cyclohexyl-2-[[1-[5-[1-(hydroxyamino)ethenyl]pyrimidin-2-yl]piperidin-4-yl]methylamino]acetate.
What is the SMILES notation for cyclopentyl (2S)-2-cyclohexyl-2-[[1-[5-[1-(hydroxyamino)ethenyl]pyrimidin-2-yl]piperidin-4-yl]methylamino]acetate?
The canonical SMILES for cyclopentyl (2S)-2-cyclohexyl-2-[[1-[5-[1-(hydroxyamino)ethenyl]pyrimidin-2-yl]piperidin-4-yl]methylamino]acetate is C=C(NO)c1cnc(N2CCC(CN[C@H](C(=O)OC3CCCC3)C3CCCCC3)CC2)nc1.
What is the InChIKey of cyclopentyl (2S)-2-cyclohexyl-2-[[1-[5-[1-(hydroxyamino)ethenyl]pyrimidin-2-yl]piperidin-4-yl]methylamino]acetate?
The InChIKey is SOLYZIORIKUQHC-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H39N5O3/c1-18(29-32)21-16-27-25(28-17-21)30-13-11-19(12-14-30)15-26-23(20-7-3-2-4-8-20)24(31)33-22-9-5-6-10-22/h16-17,19-20,22-23,26,29,32H,1-15H2/t23-/m0/s1.
What are the key properties of cyclopentyl (2S)-2-cyclohexyl-2-[[1-[5-[1-(hydroxyamino)ethenyl]pyrimidin-2-yl]piperidin-4-yl]methylamino]acetate?
cyclopentyl (2S)-2-cyclohexyl-2-[[1-[5-[1-(hydroxyamino)ethenyl]pyrimidin-2-yl]piperidin-4-yl]methylamino]acetate has a molecular weight of 457.62 g/mol, XLogP of 3.67, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl (2S)-2-cyclohexyl-2-[[1-[5-[1-(hydroxyamino)ethenyl]pyrimidin-2-yl]piperidin-4-yl]methylamino]acetate is sourced from PubChem (CID 90305636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).