ethyl (3S)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylate

C15H20N4O2 — CID 81339535

IUPACethyl (3S)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(Cc2cn3cccnc3n2)C1
InChIInChI=1S/C15H20N4O2/c1-2-21-14(20)12-5-3-7-18(9-12)10-13-11-19-8-4-6-16-15(19)17-13/h4,6,8,11-12H,2-3,5,7,9-10H2,1H3/t12-/m0/s1
InChIKeyNBMDAOAWTOXYKN-LBPRGKRZSA-N
MW288.35 g/mol
LogP1.50
Rot. Bonds4

About ethyl (3S)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylate

ethyl (3S)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylate (PubChem CID 81339535) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is ethyl (3S)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylate
PubChem CID81339535
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Nameethyl (3S)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(Cc2cn3cccnc3n2)C1
InChIInChI=1S/C15H20N4O2/c1-2-21-14(20)12-5-3-7-18(9-12)10-13-11-19-8-4-6-16-15(19)17-13/h4,6,8,11-12H,2-3,5,7,9-10H2,1H3/t12-/m0/s1
InChIKeyNBMDAOAWTOXYKN-LBPRGKRZSA-N
XLogP1.50
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl (3S)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylate 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 ethyl (3S)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylate (CID 81339535) is ethyl (3S)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN(Cc2cn3cccnc3n2)C1.
What is the InChIKey of ethyl (3S)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylate?
The InChIKey is NBMDAOAWTOXYKN-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-2-21-14(20)12-5-3-7-18(9-12)10-13-11-19-8-4-6-16-15(19)17-13/h4,6,8,11-12H,2-3,5,7,9-10H2,1H3/t12-/m0/s1.
What are the key properties of ethyl (3S)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylate?
ethyl (3S)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylate is sourced from PubChem (CID 81339535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).