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

C18H27ClN4O2 — CID 87796411

IUPAC5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbonyl chloride
SMILESCC(C)N1CCC(OC2CCN(c3cnc(C(=O)Cl)cn3)CC2)CC1
InChIInChI=1S/C18H27ClN4O2/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
InChIKeyYZLGGQNSXLXERX-UHFFFAOYSA-N
MW366.89 g/mol
LogP2.71
Rot. Bonds5

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

5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbonyl chloride (PubChem CID 87796411) has the molecular formula C18H27ClN4O2 and a molecular weight of 366.89 g/mol. Its IUPAC name is 5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbonyl chloride.

Molecular Properties

Compound Name5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbonyl chloride
PubChem CID87796411
Molecular FormulaC18H27ClN4O2
Molecular Weight366.89 g/mol
Exact Mass366.18
IUPAC Name5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbonyl chloride
SMILESCC(C)N1CCC(OC2CCN(c3cnc(C(=O)Cl)cn3)CC2)CC1
InChIInChI=1S/C18H27ClN4O2/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
InChIKeyYZLGGQNSXLXERX-UHFFFAOYSA-N
XLogP2.71
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbonyl chloride?
The IUPAC name of 5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbonyl chloride (CID 87796411) is 5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbonyl chloride.
What is the SMILES notation for 5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbonyl chloride?
The canonical SMILES for 5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbonyl chloride is CC(C)N1CCC(OC2CCN(c3cnc(C(=O)Cl)cn3)CC2)CC1.
What is the InChIKey of 5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbonyl chloride?
The InChIKey is YZLGGQNSXLXERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN4O2/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.
What are the key properties of 5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbonyl chloride?
5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbonyl chloride has a molecular weight of 366.89 g/mol, XLogP of 2.71, 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 is sourced from PubChem (CID 87796411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).