5-phenylmethoxypentyl 2-(3-carbamoylphenyl)piperazine-1-carboxylate

C24H31N3O4 — CID 67600722

IUPAC5-phenylmethoxypentyl 2-(3-carbamoylphenyl)piperazine-1-carboxylate
SMILESNC(=O)c1cccc(C2CNCCN2C(=O)OCCCCCOCc2ccccc2)c1
InChIInChI=1S/C24H31N3O4/c25-23(28)21-11-7-10-20(16-21)22-17-26-12-13-27(22)24(29)31-15-6-2-5-14-30-18-19-8-3-1-4-9-19/h1,3-4,7-11,16,22,26H,2,5-6,12-15,17-18H2,(H2,25,28)
InChIKeyZYNGUWFTQCSOIO-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.26
Rot. Bonds10

About 5-phenylmethoxypentyl 2-(3-carbamoylphenyl)piperazine-1-carboxylate

5-phenylmethoxypentyl 2-(3-carbamoylphenyl)piperazine-1-carboxylate (PubChem CID 67600722) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is 5-phenylmethoxypentyl 2-(3-carbamoylphenyl)piperazine-1-carboxylate.

Molecular Properties

Compound Name5-phenylmethoxypentyl 2-(3-carbamoylphenyl)piperazine-1-carboxylate
PubChem CID67600722
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name5-phenylmethoxypentyl 2-(3-carbamoylphenyl)piperazine-1-carboxylate
SMILESNC(=O)c1cccc(C2CNCCN2C(=O)OCCCCCOCc2ccccc2)c1
InChIInChI=1S/C24H31N3O4/c25-23(28)21-11-7-10-20(16-21)22-17-26-12-13-27(22)24(29)31-15-6-2-5-14-30-18-19-8-3-1-4-9-19/h1,3-4,7-11,16,22,26H,2,5-6,12-15,17-18H2,(H2,25,28)
InChIKeyZYNGUWFTQCSOIO-UHFFFAOYSA-N
XLogP3.26
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(2-carbamoylphenyl)piperazine-1-carbonyl]oxypentyl 2-(3-carbamoylphenyl)piperazine-1-carboxylate
CID 67599687
5-hydroxypentan-2-yl 2-(3-carbamoylphenyl)piperazine-1-carboxylate
CID 57085900
3-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropoxy]benzamide;hydrochloride
CID 120803238
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-phenylmethoxypropan-1-one
CID 120802542
2-(5-carbamoyl-3-pyridinyl)piperazine-1-carboxylic acid
CID 150144828
3-(piperidin-3-ylmethoxymethyl)benzamide
CID 62340748
3-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propoxy]benzamide;hydrochloride
CID 120731940
benzyl (2S)-2-(hydroxymethyl)piperazine-1-carboxylate;hydrochloride
CID 45072579
(3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 94997806
benzyl 2-(3-aminophenyl)pyrrolidine-1-carboxylate
CID 84818132
benzyl 2-[6-(1-methoxyethyl)-3-pyridinyl]piperazine-1-carboxylate
CID 175918378
N-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]benzamide
CID 120737378

Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxypentyl 2-(3-carbamoylphenyl)piperazine-1-carboxylate?
The IUPAC name of 5-phenylmethoxypentyl 2-(3-carbamoylphenyl)piperazine-1-carboxylate (CID 67600722) is 5-phenylmethoxypentyl 2-(3-carbamoylphenyl)piperazine-1-carboxylate.
What is the SMILES notation for 5-phenylmethoxypentyl 2-(3-carbamoylphenyl)piperazine-1-carboxylate?
The canonical SMILES for 5-phenylmethoxypentyl 2-(3-carbamoylphenyl)piperazine-1-carboxylate is NC(=O)c1cccc(C2CNCCN2C(=O)OCCCCCOCc2ccccc2)c1.
What is the InChIKey of 5-phenylmethoxypentyl 2-(3-carbamoylphenyl)piperazine-1-carboxylate?
The InChIKey is ZYNGUWFTQCSOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c25-23(28)21-11-7-10-20(16-21)22-17-26-12-13-27(22)24(29)31-15-6-2-5-14-30-18-19-8-3-1-4-9-19/h1,3-4,7-11,16,22,26H,2,5-6,12-15,17-18H2,(H2,25,28).
What are the key properties of 5-phenylmethoxypentyl 2-(3-carbamoylphenyl)piperazine-1-carboxylate?
5-phenylmethoxypentyl 2-(3-carbamoylphenyl)piperazine-1-carboxylate has a molecular weight of 425.53 g/mol, XLogP of 3.26, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxypentyl 2-(3-carbamoylphenyl)piperazine-1-carboxylate is sourced from PubChem (CID 67600722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).