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

C19H27N3O3 — CID 51151985

IUPACN-[3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]benzamide
SMILESO=C(NCCC(=O)N1CCN(CC2CCCO2)CC1)c1ccccc1
InChIInChI=1S/C19H27N3O3/c23-18(8-9-20-19(24)16-5-2-1-3-6-16)22-12-10-21(11-13-22)15-17-7-4-14-25-17/h1-3,5-6,17H,4,7-15H2,(H,20,24)
InChIKeyFACRCNZDNYFPDZ-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.13
Rot. Bonds6

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

N-[3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]benzamide (PubChem CID 51151985) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]benzamide.

Molecular Properties

Compound NameN-[3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]benzamide
PubChem CID51151985
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]benzamide
SMILESO=C(NCCC(=O)N1CCN(CC2CCCO2)CC1)c1ccccc1
InChIInChI=1S/C19H27N3O3/c23-18(8-9-20-19(24)16-5-2-1-3-6-16)22-12-10-21(11-13-22)15-17-7-4-14-25-17/h1-3,5-6,17H,4,7-15H2,(H,20,24)
InChIKeyFACRCNZDNYFPDZ-UHFFFAOYSA-N
XLogP1.13
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]benzamide
CID 134012928
4-oxo-4-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butanoic acid
CID 60662642
N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 17154515
1-[4-(oxan-2-ylmethyl)-1,4-diazepan-1-yl]-3-phenylpropan-1-one
CID 84586067
4-(oxolan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 75889826
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone
CID 55337903
3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230246
1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one
CID 121054041
N-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105421
4-benzoyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 18157014
4-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 146134662
3-(1,3-benzoxazol-2-yl)-1-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]propan-1-one
CID 9120127

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]benzamide?
The IUPAC name of N-[3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]benzamide (CID 51151985) is N-[3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]benzamide.
What is the SMILES notation for N-[3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]benzamide?
The canonical SMILES for N-[3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]benzamide is O=C(NCCC(=O)N1CCN(CC2CCCO2)CC1)c1ccccc1.
What is the InChIKey of N-[3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]benzamide?
The InChIKey is FACRCNZDNYFPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c23-18(8-9-20-19(24)16-5-2-1-3-6-16)22-12-10-21(11-13-22)15-17-7-4-14-25-17/h1-3,5-6,17H,4,7-15H2,(H,20,24).
What are the key properties of N-[3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]benzamide?
N-[3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]benzamide has a molecular weight of 345.44 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]benzamide is sourced from PubChem (CID 51151985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).