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

C20H27N3O3 — CID 12874978

IUPACN-ethyl-4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(CC(O)COc2cccc3ccccc23)CC1
InChIInChI=1S/C20H27N3O3/c1-2-21-20(25)23-12-10-22(11-13-23)14-17(24)15-26-19-9-5-7-16-6-3-4-8-18(16)19/h3-9,17,24H,2,10-15H2,1H3,(H,21,25)
InChIKeyXRNUCKBHMPESAJ-UHFFFAOYSA-N
MW357.45 g/mol
LogP1.93
Rot. Bonds6

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

N-ethyl-4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carboxamide (PubChem CID 12874978) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-ethyl-4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carboxamide
PubChem CID12874978
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-ethyl-4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(CC(O)COc2cccc3ccccc23)CC1
InChIInChI=1S/C20H27N3O3/c1-2-21-20(25)23-12-10-22(11-13-23)14-17(24)15-26-19-9-5-7-16-6-3-4-8-18(16)19/h3-9,17,24H,2,10-15H2,1H3,(H,21,25)
InChIKeyXRNUCKBHMPESAJ-UHFFFAOYSA-N
XLogP1.93
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carboxamide?
The IUPAC name of N-ethyl-4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carboxamide (CID 12874978) is N-ethyl-4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carboxamide?
The canonical SMILES for N-ethyl-4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carboxamide is CCNC(=O)N1CCN(CC(O)COc2cccc3ccccc23)CC1.
What is the InChIKey of N-ethyl-4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carboxamide?
The InChIKey is XRNUCKBHMPESAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-2-21-20(25)23-12-10-22(11-13-23)14-17(24)15-26-19-9-5-7-16-6-3-4-8-18(16)19/h3-9,17,24H,2,10-15H2,1H3,(H,21,25).
What are the key properties of N-ethyl-4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carboxamide?
N-ethyl-4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carboxamide is sourced from PubChem (CID 12874978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).