N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropylacetamide

C19H27N3O2 — CID 113115363

IUPACN-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropylacetamide
SMILESCC(=O)N(CCC(=O)N1CCN(Cc2ccccc2)CC1)C1CC1
InChIInChI=1S/C19H27N3O2/c1-16(23)22(18-7-8-18)10-9-19(24)21-13-11-20(12-14-21)15-17-5-3-2-4-6-17/h2-6,18H,7-15H2,1H3
InChIKeyNLAVWKBULRQAQN-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.73
Rot. Bonds6

About N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropylacetamide

N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropylacetamide (PubChem CID 113115363) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropylacetamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropylacetamide
PubChem CID113115363
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropylacetamide
SMILESCC(=O)N(CCC(=O)N1CCN(Cc2ccccc2)CC1)C1CC1
InChIInChI=1S/C19H27N3O2/c1-16(23)22(18-7-8-18)10-9-19(24)21-13-11-20(12-14-21)15-17-5-3-2-4-6-17/h2-6,18H,7-15H2,1H3
InChIKeyNLAVWKBULRQAQN-UHFFFAOYSA-N
XLogP1.73
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide
CID 1026459
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropyl-2-(2-methoxyphenoxy)acetamide
CID 84561869
1-(4-benzylpiperazin-1-yl)butan-1-one
CID 874457
1-(4-benzylpiperazin-1-yl)-3-[butyl(methyl)amino]propan-1-one
CID 109026864
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclohexylacetamide
CID 113116586
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-(3-methylphenyl)acetamide
CID 113123776
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 113119116
N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779627
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-methyl-N-(2-phenylethyl)propanamide
CID 42699656
1-(4-benzylpiperazin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942723
1-(4-benzylpiperazin-1-yl)-5-methylhexan-1-one
CID 143244837

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropylacetamide?
The IUPAC name of N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropylacetamide (CID 113115363) is N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropylacetamide.
What is the SMILES notation for N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropylacetamide?
The canonical SMILES for N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropylacetamide is CC(=O)N(CCC(=O)N1CCN(Cc2ccccc2)CC1)C1CC1.
What is the InChIKey of N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropylacetamide?
The InChIKey is NLAVWKBULRQAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-16(23)22(18-7-8-18)10-9-19(24)21-13-11-20(12-14-21)15-17-5-3-2-4-6-17/h2-6,18H,7-15H2,1H3.
What are the key properties of N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropylacetamide?
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropylacetamide has a molecular weight of 329.44 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropylacetamide is sourced from PubChem (CID 113115363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).