N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide

C17H25N3O2 — CID 110285473

IUPACN-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide
SMILESCCC(=O)N[C@@H](C)C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H25N3O2/c1-3-16(21)18-14(2)17(22)20-11-9-19(10-12-20)13-15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3,(H,18,21)/t14-/m0/s1
InChIKeyOSYMROWZHIEOSZ-AWEZNQCLSA-N
MW303.41 g/mol
LogP1.25
Rot. Bonds5

About N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide

N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide (PubChem CID 110285473) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide.

Molecular Properties

Compound NameN-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide
PubChem CID110285473
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide
SMILESCCC(=O)N[C@@H](C)C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H25N3O2/c1-3-16(21)18-14(2)17(22)20-11-9-19(10-12-20)13-15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3,(H,18,21)/t14-/m0/s1
InChIKeyOSYMROWZHIEOSZ-AWEZNQCLSA-N
XLogP1.25
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-3-(2-fluorophenyl)propanamide
CID 110625525
(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-3-phenylprop-2-enamide
CID 9041528
1-(4-benzylpiperazin-1-yl)-2-ethylbutan-1-one
CID 1092017
[1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 22016527
N-[(2S)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 31279747
(2S)-1-(4-benzylpiperazin-1-yl)-2-(4-chloroanilino)propan-1-one
CID 7928563
1-(4-benzylpiperazin-1-yl)-2-phenylpropan-1-one
CID 71304914
2-amino-1-(4-benzylpiperazin-1-yl)-3-methylpentan-1-one
CID 24704627
[4-[(2R)-3-(4-benzylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]methylcarbamic acid
CID 155024982
[4-[3-(4-benzylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]methyl carbamate
CID 155024934
3-amino-1-(4-benzylpiperazin-1-yl)-2-methylbutan-1-one;dihydrochloride
CID 120502407
1-(4-benzylpiperazin-1-yl)-2-methylpropan-1-one;methane;2-methyl-1-piperidin-1-ylpropan-1-one
CID 161283045

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide?
The IUPAC name of N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide (CID 110285473) is N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide.
What is the SMILES notation for N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide?
The canonical SMILES for N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide is CCC(=O)N[C@@H](C)C(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide?
The InChIKey is OSYMROWZHIEOSZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-16(21)18-14(2)17(22)20-11-9-19(10-12-20)13-15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3,(H,18,21)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide?
N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide has a molecular weight of 303.41 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide is sourced from PubChem (CID 110285473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).