4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carboxamide

C18H23N3O3 — CID 12874954

IUPAC4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carboxamide
SMILESNC(=O)N1CCN(CC(O)COc2cccc3ccccc23)CC1
InChIInChI=1S/C18H23N3O3/c19-18(23)21-10-8-20(9-11-21)12-15(22)13-24-17-7-3-5-14-4-1-2-6-16(14)17/h1-7,15,22H,8-13H2,(H2,19,23)
InChIKeyWNWYEGGLUNLMFP-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.28
Rot. Bonds5

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

4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carboxamide (PubChem CID 12874954) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carboxamide
PubChem CID12874954
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carboxamide
SMILESNC(=O)N1CCN(CC(O)COc2cccc3ccccc23)CC1
InChIInChI=1S/C18H23N3O3/c19-18(23)21-10-8-20(9-11-21)12-15(22)13-24-17-7-3-5-14-4-1-2-6-16(14)17/h1-7,15,22H,8-13H2,(H2,19,23)
InChIKeyWNWYEGGLUNLMFP-UHFFFAOYSA-N
XLogP1.28
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.28
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)piperazine-1-carboxamide?
The IUPAC name of 4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carboxamide (CID 12874954) is 4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carboxamide is NC(=O)N1CCN(CC(O)COc2cccc3ccccc23)CC1.
What is the InChIKey of 4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carboxamide?
The InChIKey is WNWYEGGLUNLMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c19-18(23)21-10-8-20(9-11-21)12-15(22)13-24-17-7-3-5-14-4-1-2-6-16(14)17/h1-7,15,22H,8-13H2,(H2,19,23).
What are the key properties of 4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carboxamide?
4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.28, 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)piperazine-1-carboxamide is sourced from PubChem (CID 12874954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).