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

C13H27N3O3 — CID 78820614

IUPACN-ethyl-4-(2-hydroxy-3-propan-2-yloxypropyl)piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(CC(O)COC(C)C)CC1
InChIInChI=1S/C13H27N3O3/c1-4-14-13(18)16-7-5-15(6-8-16)9-12(17)10-19-11(2)3/h11-12,17H,4-10H2,1-3H3,(H,14,18)
InChIKeyNHHBNSGAJAHAPI-UHFFFAOYSA-N
MW273.38 g/mol
LogP0.12
Rot. Bonds6

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

N-ethyl-4-(2-hydroxy-3-propan-2-yloxypropyl)piperazine-1-carboxamide (PubChem CID 78820614) has the molecular formula C13H27N3O3 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-ethyl-4-(2-hydroxy-3-propan-2-yloxypropyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(2-hydroxy-3-propan-2-yloxypropyl)piperazine-1-carboxamide
PubChem CID78820614
Molecular FormulaC13H27N3O3
Molecular Weight273.38 g/mol
Exact Mass273.21
IUPAC NameN-ethyl-4-(2-hydroxy-3-propan-2-yloxypropyl)piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(CC(O)COC(C)C)CC1
InChIInChI=1S/C13H27N3O3/c1-4-14-13(18)16-7-5-15(6-8-16)9-12(17)10-19-11(2)3/h11-12,17H,4-10H2,1-3H3,(H,14,18)
InChIKeyNHHBNSGAJAHAPI-UHFFFAOYSA-N
XLogP0.12
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-ethyl-4-(2-hydroxy-3-propan-2-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-ethyl-4-(2-hydroxy-3-propan-2-yloxypropyl)piperazine-1-carboxamide?
The IUPAC name of N-ethyl-4-(2-hydroxy-3-propan-2-yloxypropyl)piperazine-1-carboxamide (CID 78820614) is N-ethyl-4-(2-hydroxy-3-propan-2-yloxypropyl)piperazine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-(2-hydroxy-3-propan-2-yloxypropyl)piperazine-1-carboxamide?
The canonical SMILES for N-ethyl-4-(2-hydroxy-3-propan-2-yloxypropyl)piperazine-1-carboxamide is CCNC(=O)N1CCN(CC(O)COC(C)C)CC1.
What is the InChIKey of N-ethyl-4-(2-hydroxy-3-propan-2-yloxypropyl)piperazine-1-carboxamide?
The InChIKey is NHHBNSGAJAHAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3/c1-4-14-13(18)16-7-5-15(6-8-16)9-12(17)10-19-11(2)3/h11-12,17H,4-10H2,1-3H3,(H,14,18).
What are the key properties of N-ethyl-4-(2-hydroxy-3-propan-2-yloxypropyl)piperazine-1-carboxamide?
N-ethyl-4-(2-hydroxy-3-propan-2-yloxypropyl)piperazine-1-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 0.12, 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-propan-2-yloxypropyl)piperazine-1-carboxamide is sourced from PubChem (CID 78820614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).