2-methyl-N-[3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]benzamide

C20H29N3O3 — CID 134012928

IUPAC2-methyl-N-[3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]benzamide
SMILESCc1ccccc1C(=O)NCCC(=O)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C20H29N3O3/c1-16-5-2-3-7-18(16)20(25)21-9-8-19(24)23-12-10-22(11-13-23)15-17-6-4-14-26-17/h2-3,5,7,17H,4,6,8-15H2,1H3,(H,21,25)
InChIKeyRSLYHCLLKHRNOA-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.44
Rot. Bonds6

About 2-methyl-N-[3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]benzamide

2-methyl-N-[3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]benzamide (PubChem CID 134012928) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-methyl-N-[3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]benzamide
PubChem CID134012928
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name2-methyl-N-[3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]benzamide
SMILESCc1ccccc1C(=O)NCCC(=O)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C20H29N3O3/c1-16-5-2-3-7-18(16)20(25)21-9-8-19(24)23-12-10-22(11-13-23)15-17-6-4-14-26-17/h2-3,5,7,17H,4,6,8-15H2,1H3,(H,21,25)
InChIKeyRSLYHCLLKHRNOA-UHFFFAOYSA-N
XLogP1.44
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]benzamide
CID 51151985
2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 8868826
2-methyl-N-[3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide
CID 55563545
2-methyl-N-[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxopropyl]benzamide
CID 51269825
N-[3-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-oxopropyl]-2-methylbenzamide
CID 51327520
N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105451
N-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]-2-methylbenzamide
CID 37016302
N-[3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]-2-methylbenzamide
CID 9077292
4-oxo-4-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butanoic acid
CID 60662642
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-methylbenzamide
CID 8967289
4-(oxolan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 75889826
N-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105421

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]benzamide?
The IUPAC name of 2-methyl-N-[3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]benzamide (CID 134012928) is 2-methyl-N-[3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]benzamide.
What is the SMILES notation for 2-methyl-N-[3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]benzamide?
The canonical SMILES for 2-methyl-N-[3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]benzamide is Cc1ccccc1C(=O)NCCC(=O)N1CCN(CC2CCCO2)CC1.
What is the InChIKey of 2-methyl-N-[3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]benzamide?
The InChIKey is RSLYHCLLKHRNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-16-5-2-3-7-18(16)20(25)21-9-8-19(24)23-12-10-22(11-13-23)15-17-6-4-14-26-17/h2-3,5,7,17H,4,6,8-15H2,1H3,(H,21,25).
What are the key properties of 2-methyl-N-[3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]benzamide?
2-methyl-N-[3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]benzamide has a molecular weight of 359.47 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]benzamide is sourced from PubChem (CID 134012928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).