4-cycloheptyl-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide

C21H33N3O3 — CID 113110265

IUPAC4-cycloheptyl-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
SMILESCOc1ccc(OCCNC(=O)N2CCN(C3CCCCCC3)CC2)cc1
InChIInChI=1S/C21H33N3O3/c1-26-19-8-10-20(11-9-19)27-17-12-22-21(25)24-15-13-23(14-16-24)18-6-4-2-3-5-7-18/h8-11,18H,2-7,12-17H2,1H3,(H,22,25)
InChIKeyBZLVHXWPMYMUOX-UHFFFAOYSA-N
MW375.51 g/mol
LogP3.12
Rot. Bonds6

About 4-cycloheptyl-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide

4-cycloheptyl-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide (PubChem CID 113110265) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is 4-cycloheptyl-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-cycloheptyl-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
PubChem CID113110265
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name4-cycloheptyl-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
SMILESCOc1ccc(OCCNC(=O)N2CCN(C3CCCCCC3)CC2)cc1
InChIInChI=1S/C21H33N3O3/c1-26-19-8-10-20(11-9-19)27-17-12-22-21(25)24-15-13-23(14-16-24)18-6-4-2-3-5-7-18/h8-11,18H,2-7,12-17H2,1H3,(H,22,25)
InChIKeyBZLVHXWPMYMUOX-UHFFFAOYSA-N
XLogP3.12
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113103421
1-(4-cycloheptylpiperazin-1-yl)-2-(4-methoxyphenoxy)ethanone;oxalic acid
CID 17385067
(3R)-3-(dimethylamino)-N-[2-(4-methoxyphenoxy)ethyl]piperidine-1-carboxamide
CID 95598534
1-N-[3-(4-methoxyphenoxy)propyl]piperidine-1,4-dicarboxamide
CID 56798865
N-[2-(4-ethoxyphenoxy)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 22830514
N-[2-(4-methylphenoxy)ethyl]azepane-1-carboxamide
CID 112970074
N-[2-(3,5-dimethoxyphenoxy)ethyl]piperidine-1-carboxamide
CID 112975604
1-(4-cyclopentylpiperazin-1-yl)-2-(4-methoxyphenoxy)ethanone;oxalic acid
CID 2878195
4-(2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 113110274
N-[2-(4-methoxyphenoxy)ethyl]-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113110280
(4-cyclohexylpiperazin-1-yl)-(4-propoxyphenyl)methanone
CID 17249054
4-cyclopropyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 47455403

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-cycloheptyl-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide (CID 113110265) is 4-cycloheptyl-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-cycloheptyl-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-cycloheptyl-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide is COc1ccc(OCCNC(=O)N2CCN(C3CCCCCC3)CC2)cc1.
What is the InChIKey of 4-cycloheptyl-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide?
The InChIKey is BZLVHXWPMYMUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-26-19-8-10-20(11-9-19)27-17-12-22-21(25)24-15-13-23(14-16-24)18-6-4-2-3-5-7-18/h8-11,18H,2-7,12-17H2,1H3,(H,22,25).
What are the key properties of 4-cycloheptyl-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide?
4-cycloheptyl-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide has a molecular weight of 375.51 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 113110265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).