N-(oxolan-2-ylmethyl)-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide

C20H29N3O3 — CID 113117299

IUPACN-(oxolan-2-ylmethyl)-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCN(c2ccccc2)CC1)CC1CCCO1
InChIInChI=1S/C20H29N3O3/c1-17(24)23(16-19-8-5-15-26-19)10-9-20(25)22-13-11-21(12-14-22)18-6-3-2-4-7-18/h2-4,6-7,19H,5,8-16H2,1H3
InChIKeyXWKPWJZUXGAIBH-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.75
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide

N-(oxolan-2-ylmethyl)-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide (PubChem CID 113117299) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
PubChem CID113117299
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-(oxolan-2-ylmethyl)-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCN(c2ccccc2)CC1)CC1CCCO1
InChIInChI=1S/C20H29N3O3/c1-17(24)23(16-19-8-5-15-26-19)10-9-20(25)22-13-11-21(12-14-22)18-6-3-2-4-7-18/h2-4,6-7,19H,5,8-16H2,1H3
InChIKeyXWKPWJZUXGAIBH-UHFFFAOYSA-N
XLogP1.75
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113117312
N-benzyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 113118231
N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-N-prop-2-enylacetamide
CID 113115563
N-[2-(2-fluorophenyl)ethyl]-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 113120951
3-[acetyl(oxolan-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide
CID 113117320
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113160273
3-(oxan-4-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 84577370
1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
CID 60636215
4-fluoro-N-(oxolan-2-ylmethyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779448
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113160227
2-oxo-N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 108507662
4-bromo-N-[[(2R)-oxolan-2-yl]methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 92723683

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide (CID 113117299) is N-(oxolan-2-ylmethyl)-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide is CC(=O)N(CCC(=O)N1CCN(c2ccccc2)CC1)CC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide?
The InChIKey is XWKPWJZUXGAIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-17(24)23(16-19-8-5-15-26-19)10-9-20(25)22-13-11-21(12-14-22)18-6-3-2-4-7-18/h2-4,6-7,19H,5,8-16H2,1H3.
What are the key properties of N-(oxolan-2-ylmethyl)-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide?
N-(oxolan-2-ylmethyl)-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide has a molecular weight of 359.47 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide is sourced from PubChem (CID 113117299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).