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

C22H31N3O3 — CID 12874972

IUPACN,N-diethyl-4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(CC(O)COc2cccc3ccccc23)CC1
InChIInChI=1S/C22H31N3O3/c1-3-24(4-2)22(27)25-14-12-23(13-15-25)16-19(26)17-28-21-11-7-9-18-8-5-6-10-20(18)21/h5-11,19,26H,3-4,12-17H2,1-2H3
InChIKeyMLEYTVYSSYBVFA-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.66
Rot. Bonds7

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

N,N-diethyl-4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carboxamide (PubChem CID 12874972) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is N,N-diethyl-4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carboxamide
PubChem CID12874972
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC NameN,N-diethyl-4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(CC(O)COc2cccc3ccccc23)CC1
InChIInChI=1S/C22H31N3O3/c1-3-24(4-2)22(27)25-14-12-23(13-15-25)16-19(26)17-28-21-11-7-9-18-8-5-6-10-20(18)21/h5-11,19,26H,3-4,12-17H2,1-2H3
InChIKeyMLEYTVYSSYBVFA-UHFFFAOYSA-N
XLogP2.66
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N-diethyl-4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carboxamide 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 N,N-diethyl-4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carboxamide?
The IUPAC name of N,N-diethyl-4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carboxamide (CID 12874972) is N,N-diethyl-4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(CC(O)COc2cccc3ccccc23)CC1.
What is the InChIKey of N,N-diethyl-4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carboxamide?
The InChIKey is MLEYTVYSSYBVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-3-24(4-2)22(27)25-14-12-23(13-15-25)16-19(26)17-28-21-11-7-9-18-8-5-6-10-20(18)21/h5-11,19,26H,3-4,12-17H2,1-2H3.
What are the key properties of N,N-diethyl-4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carboxamide?
N,N-diethyl-4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carboxamide is sourced from PubChem (CID 12874972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).