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

C29H41N3O2 — CID 42700275

IUPACN-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N,4-dibutylbenzamide
SMILESCCCCc1ccc(C(=O)N(CCCC)CCC(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C29H41N3O2/c1-3-5-10-25-13-15-27(16-14-25)29(34)32(18-6-4-2)19-17-28(33)31-22-20-30(21-23-31)24-26-11-8-7-9-12-26/h7-9,11-16H,3-6,10,17-24H2,1-2H3
InChIKeyDNJRAFBZCCHEOO-UHFFFAOYSA-N
MW463.67 g/mol
LogP5.01
Rot. Bonds12

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

N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N,4-dibutylbenzamide (PubChem CID 42700275) has the molecular formula C29H41N3O2 and a molecular weight of 463.67 g/mol. Its IUPAC name is N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N,4-dibutylbenzamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N,4-dibutylbenzamide
PubChem CID42700275
Molecular FormulaC29H41N3O2
Molecular Weight463.67 g/mol
Exact Mass463.32
IUPAC NameN-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N,4-dibutylbenzamide
SMILESCCCCc1ccc(C(=O)N(CCCC)CCC(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C29H41N3O2/c1-3-5-10-25-13-15-27(16-14-25)29(34)32(18-6-4-2)19-17-28(33)31-22-20-30(21-23-31)24-26-11-8-7-9-12-26/h7-9,11-16H,3-6,10,17-24H2,1-2H3
InChIKeyDNJRAFBZCCHEOO-UHFFFAOYSA-N
XLogP5.01
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.67
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzylpiperazin-1-yl)-3-[butyl(methyl)amino]propan-1-one
CID 109026864
1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1-butyl-3-(2,6-dimethylphenyl)urea
CID 42700281
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-pentylpyrazine-2-carboxamide
CID 3593463
1-(4-benzylpiperazin-1-yl)butan-1-one
CID 874457
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-methyl-N-(2-phenylethyl)propanamide
CID 42699656
1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1-butyl-3-[2,6-di(propan-2-yl)phenyl]urea
CID 42700280
1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3-(2,6-dimethylphenyl)-1-(2-phenylethyl)urea
CID 42699849
6-amino-N-benzyl-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]hexanamide
CID 3932380
3-(4-benzylpiperazine-1-carbonyl)-N-butyl-N-methylbenzamide
CID 109055636
1-[4-(4-butylbenzoyl)piperazin-1-yl]butan-1-one
CID 110799985
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropylacetamide
CID 113115363
1-(4-benzylpiperazin-1-yl)-3-(propylamino)propan-1-one
CID 109011519

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N,4-dibutylbenzamide?
The IUPAC name of N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N,4-dibutylbenzamide (CID 42700275) is N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N,4-dibutylbenzamide.
What is the SMILES notation for N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N,4-dibutylbenzamide?
The canonical SMILES for N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N,4-dibutylbenzamide is CCCCc1ccc(C(=O)N(CCCC)CCC(=O)N2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N,4-dibutylbenzamide?
The InChIKey is DNJRAFBZCCHEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N3O2/c1-3-5-10-25-13-15-27(16-14-25)29(34)32(18-6-4-2)19-17-28(33)31-22-20-30(21-23-31)24-26-11-8-7-9-12-26/h7-9,11-16H,3-6,10,17-24H2,1-2H3.
What are the key properties of N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N,4-dibutylbenzamide?
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N,4-dibutylbenzamide has a molecular weight of 463.67 g/mol, XLogP of 5.01, 12 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,4-dibutylbenzamide is sourced from PubChem (CID 42700275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).