4-methyl-N-[1-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide

C17H27N3O2 — CID 108880576

IUPAC4-methyl-N-[1-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(C)CC1)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C17H27N3O2/c1-13(2)15-5-7-16(8-6-15)22-14(3)18-17(21)20-11-9-19(4)10-12-20/h5-8,13-14H,9-12H2,1-4H3,(H,18,21)
InChIKeyPCBVQMBGSBBGCV-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.49
Rot. Bonds4

About 4-methyl-N-[1-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide

4-methyl-N-[1-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide (PubChem CID 108880576) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-methyl-N-[1-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide
PubChem CID108880576
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name4-methyl-N-[1-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(C)CC1)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C17H27N3O2/c1-13(2)15-5-7-16(8-6-15)22-14(3)18-17(21)20-11-9-19(4)10-12-20/h5-8,13-14H,9-12H2,1-4H3,(H,18,21)
InChIKeyPCBVQMBGSBBGCV-UHFFFAOYSA-N
XLogP2.49
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-chlorophenoxy)ethyl]-4-methylpiperazine-1-carboxamide
CID 108879830
N-[1-(4-propan-2-ylphenoxy)ethyl]morpholine-4-carboxamide
CID 108880527
ethyl 1-[1-(4-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-4-carboxylate
CID 108880493
N-[1-(4-chlorophenoxy)ethyl]-4-ethylpiperazine-1-carboxamide
CID 108879940
ethyl 1-[1-(4-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-3-carboxylate
CID 108880611
N-[1-(4-chlorophenoxy)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 108880006
1-(4-methylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethane-1,2-dione
CID 94283329
4-(2-fluorophenyl)-N-[1-(4-hydroxyphenoxy)ethyl]piperazine-1-carboxamide
CID 108871212
N-[1-(4-hydroxyphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108871103
N-[1-(4-hydroxyphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108871232
4-(2,3-dimethylphenyl)-N-[1-(4-hydroxyphenoxy)ethyl]piperazine-1-carboxamide
CID 108871201
(2R)-2-(4-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 95358331

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-methyl-N-[1-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide (CID 108880576) is 4-methyl-N-[1-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[1-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide is CC(NC(=O)N1CCN(C)CC1)Oc1ccc(C(C)C)cc1.
What is the InChIKey of 4-methyl-N-[1-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide?
The InChIKey is PCBVQMBGSBBGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13(2)15-5-7-16(8-6-15)22-14(3)18-17(21)20-11-9-19(4)10-12-20/h5-8,13-14H,9-12H2,1-4H3,(H,18,21).
What are the key properties of 4-methyl-N-[1-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide?
4-methyl-N-[1-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 108880576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).