3-[benzyl(propan-2-yl)amino]-1-(4-methylpiperazin-1-yl)propan-1-one

C18H29N3O — CID 109017239

IUPAC3-[benzyl(propan-2-yl)amino]-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCC(C)N(CCC(=O)N1CCN(C)CC1)Cc1ccccc1
InChIInChI=1S/C18H29N3O/c1-16(2)21(15-17-7-5-4-6-8-17)10-9-18(22)20-13-11-19(3)12-14-20/h4-8,16H,9-15H2,1-3H3
InChIKeyRVQJUGXKVXHPBX-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.06
Rot. Bonds6

About 3-[benzyl(propan-2-yl)amino]-1-(4-methylpiperazin-1-yl)propan-1-one

3-[benzyl(propan-2-yl)amino]-1-(4-methylpiperazin-1-yl)propan-1-one (PubChem CID 109017239) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 3-[benzyl(propan-2-yl)amino]-1-(4-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[benzyl(propan-2-yl)amino]-1-(4-methylpiperazin-1-yl)propan-1-one
PubChem CID109017239
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name3-[benzyl(propan-2-yl)amino]-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCC(C)N(CCC(=O)N1CCN(C)CC1)Cc1ccccc1
InChIInChI=1S/C18H29N3O/c1-16(2)21(15-17-7-5-4-6-8-17)10-9-18(22)20-13-11-19(3)12-14-20/h4-8,16H,9-15H2,1-3H3
InChIKeyRVQJUGXKVXHPBX-UHFFFAOYSA-N
XLogP2.06
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[benzyl(propan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980299
3-[benzyl(propan-2-yl)amino]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109027223
ethyl 2-[benzyl-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]acetate
CID 99788120
ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 90907944
3-(N-methylanilino)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 109017255
N-benzyl-4-(4-methylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide
CID 109046122
N-benzyl-N-methyl-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944328
3-[benzyl(methyl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 109014307
1-(4-methylpiperazin-1-yl)-7-phenylheptan-1-one
CID 10827239
1-(4-methylpiperazin-1-yl)-11-phenylundecan-1-one
CID 10545423
1-piperazin-1-yl-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-1-one;hydrochloride
CID 120980871
3-(benzylamino)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 91054439

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(propan-2-yl)amino]-1-(4-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-[benzyl(propan-2-yl)amino]-1-(4-methylpiperazin-1-yl)propan-1-one (CID 109017239) is 3-[benzyl(propan-2-yl)amino]-1-(4-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-[benzyl(propan-2-yl)amino]-1-(4-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-[benzyl(propan-2-yl)amino]-1-(4-methylpiperazin-1-yl)propan-1-one is CC(C)N(CCC(=O)N1CCN(C)CC1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(propan-2-yl)amino]-1-(4-methylpiperazin-1-yl)propan-1-one?
The InChIKey is RVQJUGXKVXHPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-16(2)21(15-17-7-5-4-6-8-17)10-9-18(22)20-13-11-19(3)12-14-20/h4-8,16H,9-15H2,1-3H3.
What are the key properties of 3-[benzyl(propan-2-yl)amino]-1-(4-methylpiperazin-1-yl)propan-1-one?
3-[benzyl(propan-2-yl)amino]-1-(4-methylpiperazin-1-yl)propan-1-one has a molecular weight of 303.45 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(propan-2-yl)amino]-1-(4-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 109017239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).