(2R)-2-methyl-N-(2-naphthalen-1-yloxyethyl)piperazine-1-carboxamide

C18H23N3O2 — CID 131918490

IUPAC(2R)-2-methyl-N-(2-naphthalen-1-yloxyethyl)piperazine-1-carboxamide
SMILESC[C@@H]1CNCCN1C(=O)NCCOc1cccc2ccccc12
InChIInChI=1S/C18H23N3O2/c1-14-13-19-9-11-21(14)18(22)20-10-12-23-17-8-4-6-15-5-2-3-7-16(15)17/h2-8,14,19H,9-13H2,1H3,(H,20,22)/t14-/m1/s1
InChIKeyDYOYJOQZZGSDGQ-CQSZACIVSA-N
MW313.40 g/mol
LogP2.22
Rot. Bonds4

About (2R)-2-methyl-N-(2-naphthalen-1-yloxyethyl)piperazine-1-carboxamide

(2R)-2-methyl-N-(2-naphthalen-1-yloxyethyl)piperazine-1-carboxamide (PubChem CID 131918490) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2R)-2-methyl-N-(2-naphthalen-1-yloxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-(2-naphthalen-1-yloxyethyl)piperazine-1-carboxamide
PubChem CID131918490
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(2R)-2-methyl-N-(2-naphthalen-1-yloxyethyl)piperazine-1-carboxamide
SMILESC[C@@H]1CNCCN1C(=O)NCCOc1cccc2ccccc12
InChIInChI=1S/C18H23N3O2/c1-14-13-19-9-11-21(14)18(22)20-10-12-23-17-8-4-6-15-5-2-3-7-16(15)17/h2-8,14,19H,9-13H2,1H3,(H,20,22)/t14-/m1/s1
InChIKeyDYOYJOQZZGSDGQ-CQSZACIVSA-N
XLogP2.22
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-(2-naphthalen-1-yloxyethyl)piperazine-1-carboxamide?
The IUPAC name of (2R)-2-methyl-N-(2-naphthalen-1-yloxyethyl)piperazine-1-carboxamide (CID 131918490) is (2R)-2-methyl-N-(2-naphthalen-1-yloxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for (2R)-2-methyl-N-(2-naphthalen-1-yloxyethyl)piperazine-1-carboxamide?
The canonical SMILES for (2R)-2-methyl-N-(2-naphthalen-1-yloxyethyl)piperazine-1-carboxamide is C[C@@H]1CNCCN1C(=O)NCCOc1cccc2ccccc12.
What is the InChIKey of (2R)-2-methyl-N-(2-naphthalen-1-yloxyethyl)piperazine-1-carboxamide?
The InChIKey is DYOYJOQZZGSDGQ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14-13-19-9-11-21(14)18(22)20-10-12-23-17-8-4-6-15-5-2-3-7-16(15)17/h2-8,14,19H,9-13H2,1H3,(H,20,22)/t14-/m1/s1.
What are the key properties of (2R)-2-methyl-N-(2-naphthalen-1-yloxyethyl)piperazine-1-carboxamide?
(2R)-2-methyl-N-(2-naphthalen-1-yloxyethyl)piperazine-1-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-(2-naphthalen-1-yloxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 131918490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).