4-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-methylpiperazine-1-carboxamide

C19H25N3O3 — CID 12874974

IUPAC4-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-methylpiperazine-1-carboxamide
SMILESCNC(=O)N1CCN(CC(O)COc2cccc3ccccc23)CC1
InChIInChI=1S/C19H25N3O3/c1-20-19(24)22-11-9-21(10-12-22)13-16(23)14-25-18-8-4-6-15-5-2-3-7-17(15)18/h2-8,16,23H,9-14H2,1H3,(H,20,24)
InChIKeyXOIRIDIHLYRCAP-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.54
Rot. Bonds5

About 4-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-methylpiperazine-1-carboxamide

4-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-methylpiperazine-1-carboxamide (PubChem CID 12874974) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-methylpiperazine-1-carboxamide
PubChem CID12874974
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name4-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-methylpiperazine-1-carboxamide
SMILESCNC(=O)N1CCN(CC(O)COc2cccc3ccccc23)CC1
InChIInChI=1S/C19H25N3O3/c1-20-19(24)22-11-9-21(10-12-22)13-16(23)14-25-18-8-4-6-15-5-2-3-7-17(15)18/h2-8,16,23H,9-14H2,1H3,(H,20,24)
InChIKeyXOIRIDIHLYRCAP-UHFFFAOYSA-N
XLogP1.54
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-methylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-methylpiperazine-1-carboxamide (CID 12874974) is 4-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-methylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-methylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-methylpiperazine-1-carboxamide is CNC(=O)N1CCN(CC(O)COc2cccc3ccccc23)CC1.
What is the InChIKey of 4-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-methylpiperazine-1-carboxamide?
The InChIKey is XOIRIDIHLYRCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-20-19(24)22-11-9-21(10-12-22)13-16(23)14-25-18-8-4-6-15-5-2-3-7-17(15)18/h2-8,16,23H,9-14H2,1H3,(H,20,24).
What are the key properties of 4-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-methylpiperazine-1-carboxamide?
4-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-methylpiperazine-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-methylpiperazine-1-carboxamide is sourced from PubChem (CID 12874974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).