4-benzyl-N-(3-phenoxypropyl)piperazine-1-carboxamide

C21H27N3O2 — CID 108883110

IUPAC4-benzyl-N-(3-phenoxypropyl)piperazine-1-carboxamide
SMILESO=C(NCCCOc1ccccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H27N3O2/c25-21(22-12-7-17-26-20-10-5-2-6-11-20)24-15-13-23(14-16-24)18-19-8-3-1-4-9-19/h1-6,8-11H,7,12-18H2,(H,22,25)
InChIKeyIIRMKGSIQNSZFY-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.98
Rot. Bonds7

About 4-benzyl-N-(3-phenoxypropyl)piperazine-1-carboxamide

4-benzyl-N-(3-phenoxypropyl)piperazine-1-carboxamide (PubChem CID 108883110) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-benzyl-N-(3-phenoxypropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(3-phenoxypropyl)piperazine-1-carboxamide
PubChem CID108883110
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name4-benzyl-N-(3-phenoxypropyl)piperazine-1-carboxamide
SMILESO=C(NCCCOc1ccccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H27N3O2/c25-21(22-12-7-17-26-20-10-5-2-6-11-20)24-15-13-23(14-16-24)18-19-8-3-1-4-9-19/h1-6,8-11H,7,12-18H2,(H,22,25)
InChIKeyIIRMKGSIQNSZFY-UHFFFAOYSA-N
XLogP2.98
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-benzyl-N-(3-cyclohexyloxypropyl)-1,4-diazepane-1-carboxamide
CID 55473586
4-benzyl-N-(2-quinolin-6-yloxyethyl)piperazine-1-carboxamide
CID 112975813
4-formyl-N-(2-phenoxyethyl)piperazine-1-carboxamide
CID 108887105
4-benzyl-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 108900940
4-benzyl-N-[2-(2-methylphenoxy)ethyl]-1,4-diazepane-1-carboxamide
CID 55931486
N-(3-phenoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108883277
4-benzyl-N-[2-(4-chloro-2-methylphenoxy)ethyl]piperazine-1-carboxamide
CID 112976510
4-[2-[(4-benzylpiperazine-1-carbonyl)amino]ethyl]benzoic acid
CID 174672061
N,4-dibenzylpiperazine-1-carboxamide;ethane
CID 91343107
4-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113107023
N-(2-phenoxyethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 18532694
4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27517759

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(3-phenoxypropyl)piperazine-1-carboxamide?
The IUPAC name of 4-benzyl-N-(3-phenoxypropyl)piperazine-1-carboxamide (CID 108883110) is 4-benzyl-N-(3-phenoxypropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-(3-phenoxypropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-(3-phenoxypropyl)piperazine-1-carboxamide is O=C(NCCCOc1ccccc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-N-(3-phenoxypropyl)piperazine-1-carboxamide?
The InChIKey is IIRMKGSIQNSZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c25-21(22-12-7-17-26-20-10-5-2-6-11-20)24-15-13-23(14-16-24)18-19-8-3-1-4-9-19/h1-6,8-11H,7,12-18H2,(H,22,25).
What are the key properties of 4-benzyl-N-(3-phenoxypropyl)piperazine-1-carboxamide?
4-benzyl-N-(3-phenoxypropyl)piperazine-1-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(3-phenoxypropyl)piperazine-1-carboxamide is sourced from PubChem (CID 108883110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).