2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(3-phenylpropyl)acetamide

C19H31N3O2 — CID 56802208

IUPAC2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(3-phenylpropyl)acetamide
SMILESCC(O)CN1CCN(CC(=O)NCCCc2ccccc2)CC1C
InChIInChI=1S/C19H31N3O2/c1-16-13-21(11-12-22(16)14-17(2)23)15-19(24)20-10-6-9-18-7-4-3-5-8-18/h3-5,7-8,16-17,23H,6,9-15H2,1-2H3,(H,20,24)
InChIKeySRSNPWLPACVKOV-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.12
Rot. Bonds8

About 2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(3-phenylpropyl)acetamide

2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(3-phenylpropyl)acetamide (PubChem CID 56802208) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(3-phenylpropyl)acetamide
PubChem CID56802208
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(3-phenylpropyl)acetamide
SMILESCC(O)CN1CCN(CC(=O)NCCCc2ccccc2)CC1C
InChIInChI=1S/C19H31N3O2/c1-16-13-21(11-12-22(16)14-17(2)23)15-19(24)20-10-6-9-18-7-4-3-5-8-18/h3-5,7-8,16-17,23H,6,9-15H2,1-2H3,(H,20,24)
InChIKeySRSNPWLPACVKOV-UHFFFAOYSA-N
XLogP1.12
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.12
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

2-(3-methylpiperazin-1-yl)-N-(3-phenylpropyl)acetamide
CID 65449797
1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidine-4-carboxylic acid
CID 119908236
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-[(3S)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]acetamide
CID 100838916
(2S)-1-[(2R)-2-methyl-4-[(2S)-4-phenylbutan-2-yl]piperazin-1-yl]propan-2-ol
CID 124740064
2-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(2-thiophen-3-ylethyl)acetamide
CID 98767316
N-benzyl-2-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]acetamide
CID 163526789
2-(3-formylpiperidin-1-yl)-N-(3-phenylpropyl)acetamide
CID 62660631
(2R)-1-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]propan-2-ol
CID 95610921
2-[3-methyl-4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 56550582
tert-butyl 4-[2-oxo-2-(3-phenylpropylamino)ethyl]piperazine-1-carboxylate
CID 34196422
4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 86912616
2-[2-(1-hydroxypropyl)piperidin-1-yl]-N-(3-phenylpropyl)acetamide
CID 111333468

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(3-phenylpropyl)acetamide (CID 56802208) is 2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(3-phenylpropyl)acetamide is CC(O)CN1CCN(CC(=O)NCCCc2ccccc2)CC1C.
What is the InChIKey of 2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(3-phenylpropyl)acetamide?
The InChIKey is SRSNPWLPACVKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-16-13-21(11-12-22(16)14-17(2)23)15-19(24)20-10-6-9-18-7-4-3-5-8-18/h3-5,7-8,16-17,23H,6,9-15H2,1-2H3,(H,20,24).
What are the key properties of 2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(3-phenylpropyl)acetamide?
2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(3-phenylpropyl)acetamide has a molecular weight of 333.48 g/mol, XLogP of 1.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 56802208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).