4-[2-(benzylamino)-2-oxoethyl]-N-[3-(2-phenylethoxy)propyl]piperazine-1-carboxamide

C25H34N4O3 — CID 55909232

IUPAC4-[2-(benzylamino)-2-oxoethyl]-N-[3-(2-phenylethoxy)propyl]piperazine-1-carboxamide
SMILESO=C(CN1CCN(C(=O)NCCCOCCc2ccccc2)CC1)NCc1ccccc1
InChIInChI=1S/C25H34N4O3/c30-24(27-20-23-10-5-2-6-11-23)21-28-14-16-29(17-15-28)25(31)26-13-7-18-32-19-12-22-8-3-1-4-9-22/h1-6,8-11H,7,12-21H2,(H,26,31)(H,27,30)
InChIKeyXYJCHTWCRXFKOA-UHFFFAOYSA-N
MW438.57 g/mol
LogP2.28
Rot. Bonds11

About 4-[2-(benzylamino)-2-oxoethyl]-N-[3-(2-phenylethoxy)propyl]piperazine-1-carboxamide

4-[2-(benzylamino)-2-oxoethyl]-N-[3-(2-phenylethoxy)propyl]piperazine-1-carboxamide (PubChem CID 55909232) has the molecular formula C25H34N4O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is 4-[2-(benzylamino)-2-oxoethyl]-N-[3-(2-phenylethoxy)propyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(benzylamino)-2-oxoethyl]-N-[3-(2-phenylethoxy)propyl]piperazine-1-carboxamide
PubChem CID55909232
Molecular FormulaC25H34N4O3
Molecular Weight438.57 g/mol
Exact Mass438.26
IUPAC Name4-[2-(benzylamino)-2-oxoethyl]-N-[3-(2-phenylethoxy)propyl]piperazine-1-carboxamide
SMILESO=C(CN1CCN(C(=O)NCCCOCCc2ccccc2)CC1)NCc1ccccc1
InChIInChI=1S/C25H34N4O3/c30-24(27-20-23-10-5-2-6-11-23)21-28-14-16-29(17-15-28)25(31)26-13-7-18-32-19-12-22-8-3-1-4-9-22/h1-6,8-11H,7,12-21H2,(H,26,31)(H,27,30)
InChIKeyXYJCHTWCRXFKOA-UHFFFAOYSA-N
XLogP2.28
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-phenylethoxy)propyl]thiomorpholine-4-carboxamide
CID 52711041
4-(2-anilino-2-oxoethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 31065316
4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 86912616
4-N,4-N-dimethyl-1-N-[3-(2-phenylethoxy)propyl]piperidine-1,4-dicarboxamide
CID 87036562
N-(3-cyclohexyloxypropyl)-4-(2-phenylethyl)piperazine-1-carboxamide
CID 55473682
N-[(4-methylphenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34943408
5-methyl-1-[3-(2-phenylethoxy)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122122348
(1S,6S)-9-methyl-N-[3-(2-phenylethoxy)propyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 124776899
methyl 4-(3-phenylpropylcarbamoyl)piperazine-1-carboxylate
CID 118398412
N-benzyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
CID 51329271
4-benzyl-N-(3-phenoxypropyl)piperazine-1-carboxamide
CID 108883110
4-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 17456278

Frequently Asked Questions

What is the IUPAC name of 4-[2-(benzylamino)-2-oxoethyl]-N-[3-(2-phenylethoxy)propyl]piperazine-1-carboxamide?
The IUPAC name of 4-[2-(benzylamino)-2-oxoethyl]-N-[3-(2-phenylethoxy)propyl]piperazine-1-carboxamide (CID 55909232) is 4-[2-(benzylamino)-2-oxoethyl]-N-[3-(2-phenylethoxy)propyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(benzylamino)-2-oxoethyl]-N-[3-(2-phenylethoxy)propyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(benzylamino)-2-oxoethyl]-N-[3-(2-phenylethoxy)propyl]piperazine-1-carboxamide is O=C(CN1CCN(C(=O)NCCCOCCc2ccccc2)CC1)NCc1ccccc1.
What is the InChIKey of 4-[2-(benzylamino)-2-oxoethyl]-N-[3-(2-phenylethoxy)propyl]piperazine-1-carboxamide?
The InChIKey is XYJCHTWCRXFKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3/c30-24(27-20-23-10-5-2-6-11-23)21-28-14-16-29(17-15-28)25(31)26-13-7-18-32-19-12-22-8-3-1-4-9-22/h1-6,8-11H,7,12-21H2,(H,26,31)(H,27,30).
What are the key properties of 4-[2-(benzylamino)-2-oxoethyl]-N-[3-(2-phenylethoxy)propyl]piperazine-1-carboxamide?
4-[2-(benzylamino)-2-oxoethyl]-N-[3-(2-phenylethoxy)propyl]piperazine-1-carboxamide has a molecular weight of 438.57 g/mol, XLogP of 2.28, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(benzylamino)-2-oxoethyl]-N-[3-(2-phenylethoxy)propyl]piperazine-1-carboxamide is sourced from PubChem (CID 55909232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).