tert-butyl (2S)-2-[3-[(3-chloropyrazin-2-yl)methoxy]propyl]piperidine-1-carboxylate

C18H28ClN3O3 — CID 97173295

IUPACtert-butyl (2S)-2-[3-[(3-chloropyrazin-2-yl)methoxy]propyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1CCCOCc1nccnc1Cl
InChIInChI=1S/C18H28ClN3O3/c1-18(2,3)25-17(23)22-11-5-4-7-14(22)8-6-12-24-13-15-16(19)21-10-9-20-15/h9-10,14H,4-8,11-13H2,1-3H3/t14-/m0/s1
InChIKeyOPMPCRZSJDERSQ-AWEZNQCLSA-N
MW369.89 g/mol
LogP4.22
Rot. Bonds6

About tert-butyl (2S)-2-[3-[(3-chloropyrazin-2-yl)methoxy]propyl]piperidine-1-carboxylate

tert-butyl (2S)-2-[3-[(3-chloropyrazin-2-yl)methoxy]propyl]piperidine-1-carboxylate (PubChem CID 97173295) has the molecular formula C18H28ClN3O3 and a molecular weight of 369.89 g/mol. Its IUPAC name is tert-butyl (2S)-2-[3-[(3-chloropyrazin-2-yl)methoxy]propyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[3-[(3-chloropyrazin-2-yl)methoxy]propyl]piperidine-1-carboxylate
PubChem CID97173295
Molecular FormulaC18H28ClN3O3
Molecular Weight369.89 g/mol
Exact Mass369.18
IUPAC Nametert-butyl (2S)-2-[3-[(3-chloropyrazin-2-yl)methoxy]propyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1CCCOCc1nccnc1Cl
InChIInChI=1S/C18H28ClN3O3/c1-18(2,3)25-17(23)22-11-5-4-7-14(22)8-6-12-24-13-15-16(19)21-10-9-20-15/h9-10,14H,4-8,11-13H2,1-3H3/t14-/m0/s1
InChIKeyOPMPCRZSJDERSQ-AWEZNQCLSA-N
XLogP4.22
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.89
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl (2S)-2-[3-[(3-chloropyrazin-2-yl)methoxy]propyl]piperidine-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl (2R)-2-[(3-chloropyrazin-2-yl)methoxymethyl]piperidine-1-carboxylate
CID 97173673
tert-butyl 2-[(3-chloropyrazin-2-yl)methoxymethyl]piperidine-1-carboxylate
CID 71631813
tert-butyl (2S)-2-(3-pyrazin-2-yloxypropyl)piperidine-1-carboxylate
CID 97173227
tert-butyl (2R)-2-[3-(4-chloro-5-methylpyrimidin-2-yl)oxypropyl]piperidine-1-carboxylate
CID 97176764
tert-butyl (2R)-2-[3-(1,3-thiazol-2-yloxy)propyl]piperidine-1-carboxylate
CID 97173228
tert-butyl (2R)-2-[3-(1,3-thiazol-5-ylmethoxy)propyl]piperidine-1-carboxylate
CID 97173288
tert-butyl 2-[3-(2-oxo-2-pyridin-2-ylethoxy)propyl]piperidine-1-carboxylate
CID 71631587
tert-butyl (2R)-2-[2-(2-chloropyrimidin-4-yl)oxyethyl]piperidine-1-carboxylate
CID 97173304
tert-butyl (2R)-2-[3-(4-methylpyrimidin-2-yl)oxypropyl]piperidine-1-carboxylate
CID 97176826
tert-butyl (2S)-2-[3-(4-methylpyrimidin-2-yl)oxypropyl]piperidine-1-carboxylate
CID 97176825
tert-butyl 2-[2-(3-methylpyrazin-2-yl)oxyethyl]piperidine-1-carboxylate
CID 71634825
tert-butyl (2R)-2-[2-(3-methylpyrazin-2-yl)oxyethyl]piperidine-1-carboxylate
CID 97176860

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[3-[(3-chloropyrazin-2-yl)methoxy]propyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[3-[(3-chloropyrazin-2-yl)methoxy]propyl]piperidine-1-carboxylate (CID 97173295) is tert-butyl (2S)-2-[3-[(3-chloropyrazin-2-yl)methoxy]propyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[3-[(3-chloropyrazin-2-yl)methoxy]propyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[3-[(3-chloropyrazin-2-yl)methoxy]propyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC[C@H]1CCCOCc1nccnc1Cl.
What is the InChIKey of tert-butyl (2S)-2-[3-[(3-chloropyrazin-2-yl)methoxy]propyl]piperidine-1-carboxylate?
The InChIKey is OPMPCRZSJDERSQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H28ClN3O3/c1-18(2,3)25-17(23)22-11-5-4-7-14(22)8-6-12-24-13-15-16(19)21-10-9-20-15/h9-10,14H,4-8,11-13H2,1-3H3/t14-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[3-[(3-chloropyrazin-2-yl)methoxy]propyl]piperidine-1-carboxylate?
tert-butyl (2S)-2-[3-[(3-chloropyrazin-2-yl)methoxy]propyl]piperidine-1-carboxylate has a molecular weight of 369.89 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[3-[(3-chloropyrazin-2-yl)methoxy]propyl]piperidine-1-carboxylate is sourced from PubChem (CID 97173295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).