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

C17H25N3O2 — CID 110287317

IUPACN-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]propanamide
SMILESCCC(=O)NCCC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H25N3O2/c1-2-16(21)18-9-8-17(22)20-12-10-19(11-13-20)14-15-6-4-3-5-7-15/h3-7H,2,8-14H2,1H3,(H,18,21)
InChIKeyHVOZMMUBJBYJMN-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.25
Rot. Bonds6

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

N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]propanamide (PubChem CID 110287317) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]propanamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]propanamide
PubChem CID110287317
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]propanamide
SMILESCCC(=O)NCCC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H25N3O2/c1-2-16(21)18-9-8-17(22)20-12-10-19(11-13-20)14-15-6-4-3-5-7-15/h3-7H,2,8-14H2,1H3,(H,18,21)
InChIKeyHVOZMMUBJBYJMN-UHFFFAOYSA-N
XLogP1.25
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

ethyl N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]carbamate
CID 110287347
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2,2-dimethylpropanamide
CID 37165106
1-(4-benzylpiperazin-1-yl)-3-(propylamino)propan-1-one
CID 109011519
1-(4-benzylpiperazin-1-yl)butan-1-one
CID 874457
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-(4-methylphenoxy)acetamide
CID 110287343
(E)-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-methyl-3-phenylprop-2-enamide
CID 110306377
1-(4-benzylpiperazin-1-yl)-3-(2-ethylanilino)propan-1-one
CID 109026883
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
1-(4-benzylpiperazin-1-yl)-2-chloroethanone;hydrochloride
CID 16806065
N-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxopropyl]furan-2-carboxamide
CID 43044219
N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide
CID 110285473
4-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]pentanamide
CID 120565252

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]propanamide?
The IUPAC name of N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]propanamide (CID 110287317) is N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]propanamide.
What is the SMILES notation for N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]propanamide?
The canonical SMILES for N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]propanamide is CCC(=O)NCCC(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]propanamide?
The InChIKey is HVOZMMUBJBYJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-2-16(21)18-9-8-17(22)20-12-10-19(11-13-20)14-15-6-4-3-5-7-15/h3-7H,2,8-14H2,1H3,(H,18,21).
What are the key properties of N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]propanamide?
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]propanamide has a molecular weight of 303.41 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 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]propanamide is sourced from PubChem (CID 110287317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).