5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbonyl chloride;hydrochloride

C18H28Cl2N4O2 — CID 87796410

IUPAC5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbonyl chloride;hydrochloride
SMILESCC(C)N1CCC(OC2CCN(c3cnc(C(=O)Cl)cn3)CC2)CC1.Cl
InChIInChI=1S/C18H27ClN4O2.ClH/c1-13(2)22-7-3-14(4-8-22)25-15-5-9-23(10-6-15)17-12-20-16(11-21-17)18(19)24;/h11-15H,3-10H2,1-2H3;1H
InChIKeyAQVDUOLTCUJMLT-UHFFFAOYSA-N
MW403.35 g/mol
LogP3.14
Rot. Bonds5

About 5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbonyl chloride;hydrochloride

5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbonyl chloride;hydrochloride (PubChem CID 87796410) has the molecular formula C18H28Cl2N4O2 and a molecular weight of 403.35 g/mol. Its IUPAC name is 5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbonyl chloride;hydrochloride.

Molecular Properties

Compound Name5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbonyl chloride;hydrochloride
PubChem CID87796410
Molecular FormulaC18H28Cl2N4O2
Molecular Weight403.35 g/mol
Exact Mass402.16
IUPAC Name5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbonyl chloride;hydrochloride
SMILESCC(C)N1CCC(OC2CCN(c3cnc(C(=O)Cl)cn3)CC2)CC1.Cl
InChIInChI=1S/C18H27ClN4O2.ClH/c1-13(2)22-7-3-14(4-8-22)25-15-5-9-23(10-6-15)17-12-20-16(11-21-17)18(19)24;/h11-15H,3-10H2,1-2H3;1H
InChIKeyAQVDUOLTCUJMLT-UHFFFAOYSA-N
XLogP3.14
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.35
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbonyl chloride;hydrochloride 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 5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbonyl chloride;hydrochloride?
The IUPAC name of 5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbonyl chloride;hydrochloride (CID 87796410) is 5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbonyl chloride;hydrochloride.
What is the SMILES notation for 5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbonyl chloride;hydrochloride?
The canonical SMILES for 5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbonyl chloride;hydrochloride is CC(C)N1CCC(OC2CCN(c3cnc(C(=O)Cl)cn3)CC2)CC1.Cl.
What is the InChIKey of 5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbonyl chloride;hydrochloride?
The InChIKey is AQVDUOLTCUJMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN4O2.ClH/c1-13(2)22-7-3-14(4-8-22)25-15-5-9-23(10-6-15)17-12-20-16(11-21-17)18(19)24;/h11-15H,3-10H2,1-2H3;1H.
What are the key properties of 5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbonyl chloride;hydrochloride?
5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbonyl chloride;hydrochloride has a molecular weight of 403.35 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbonyl chloride;hydrochloride is sourced from PubChem (CID 87796410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).