N-butyl-2-[4-[2-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]acetamide

C22H33N3O4 — CID 43048299

IUPACN-butyl-2-[4-[2-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(C(=O)c2ccccc2OCC2CCCO2)CC1
InChIInChI=1S/C22H33N3O4/c1-2-3-10-23-21(26)16-24-11-13-25(14-12-24)22(27)19-8-4-5-9-20(19)29-17-18-7-6-15-28-18/h4-5,8-9,18H,2-3,6-7,10-17H2,1H3,(H,23,26)
InChIKeyDTTRMOCMUSGTOO-UHFFFAOYSA-N
MW403.52 g/mol
LogP1.92
Rot. Bonds9

About N-butyl-2-[4-[2-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]acetamide

N-butyl-2-[4-[2-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]acetamide (PubChem CID 43048299) has the molecular formula C22H33N3O4 and a molecular weight of 403.52 g/mol. Its IUPAC name is N-butyl-2-[4-[2-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[4-[2-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]acetamide
PubChem CID43048299
Molecular FormulaC22H33N3O4
Molecular Weight403.52 g/mol
Exact Mass403.25
IUPAC NameN-butyl-2-[4-[2-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(C(=O)c2ccccc2OCC2CCCO2)CC1
InChIInChI=1S/C22H33N3O4/c1-2-3-10-23-21(26)16-24-11-13-25(14-12-24)22(27)19-8-4-5-9-20(19)29-17-18-7-6-15-28-18/h4-5,8-9,18H,2-3,6-7,10-17H2,1H3,(H,23,26)
InChIKeyDTTRMOCMUSGTOO-UHFFFAOYSA-N
XLogP1.92
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 51927276
1,4-diazepan-1-yl-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone
CID 124610969
[(3S)-3-methylpiperazin-1-yl]-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 124591399
N-(3-hydroxypropyl)-2-(oxolan-2-ylmethoxy)benzamide
CID 78854576
[2-(oxolan-2-ylmethoxy)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 42937228
(3R)-3-methyl-1-[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 125148522
3-methyl-1-[2-(oxolan-2-ylmethoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 119256061
(3R)-3-methyl-1-[2-[[(2S)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 125148523
2-[4-[2-[(4-chlorophenyl)methoxy]benzoyl]piperazin-1-yl]-N-propylacetamide
CID 134014545
N-butyl-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 18163310
2-[4-[2-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]-2-phenylacetonitrile
CID 112810509
2-(4-benzoylpiperazin-1-yl)-N-pentylacetamide
CID 8597427

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-[2-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-butyl-2-[4-[2-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]acetamide (CID 43048299) is N-butyl-2-[4-[2-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[4-[2-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[4-[2-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]acetamide is CCCCNC(=O)CN1CCN(C(=O)c2ccccc2OCC2CCCO2)CC1.
What is the InChIKey of N-butyl-2-[4-[2-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]acetamide?
The InChIKey is DTTRMOCMUSGTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O4/c1-2-3-10-23-21(26)16-24-11-13-25(14-12-24)22(27)19-8-4-5-9-20(19)29-17-18-7-6-15-28-18/h4-5,8-9,18H,2-3,6-7,10-17H2,1H3,(H,23,26).
What are the key properties of N-butyl-2-[4-[2-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]acetamide?
N-butyl-2-[4-[2-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]acetamide has a molecular weight of 403.52 g/mol, XLogP of 1.92, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-[2-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 43048299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).