5-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide

C20H31BrN4O2 — CID 56552908

IUPAC5-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide
SMILESCCCN(CCC)C(=O)CCCC(=O)N1CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C20H31BrN4O2/c1-3-10-24(11-4-2)19(26)6-5-7-20(27)25-14-12-23(13-15-25)18-9-8-17(21)16-22-18/h8-9,16H,3-7,10-15H2,1-2H3
InChIKeyGVUYCDRYLOBSRP-UHFFFAOYSA-N
MW439.40 g/mol
LogP3.31
Rot. Bonds9

About 5-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide

5-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide (PubChem CID 56552908) has the molecular formula C20H31BrN4O2 and a molecular weight of 439.40 g/mol. Its IUPAC name is 5-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide.

Molecular Properties

Compound Name5-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide
PubChem CID56552908
Molecular FormulaC20H31BrN4O2
Molecular Weight439.40 g/mol
Exact Mass438.16
IUPAC Name5-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide
SMILESCCCN(CCC)C(=O)CCCC(=O)N1CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C20H31BrN4O2/c1-3-10-24(11-4-2)19(26)6-5-7-20(27)25-14-12-23(13-15-25)18-9-8-17(21)16-22-18/h8-9,16H,3-7,10-15H2,1-2H3
InChIKeyGVUYCDRYLOBSRP-UHFFFAOYSA-N
XLogP3.31
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.40
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 54871341
1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione
CID 46433275
1-[4-(5-amino-2-pyridinyl)piperazin-1-yl]hexan-1-one
CID 43461986
5-[4-(4-chlorobenzoyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide
CID 56546311
1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 35372699
6-(4-butanoylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 83967770
1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 35376587
2-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 60945383
3-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one
CID 62668903
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N',N'-dipropylpentanediamide
CID 56538874
ethyl 5-[4-[5-[(4-methylbenzoyl)amino]-2-pyridinyl]piperazin-1-yl]-5-oxopentanoate
CID 46084352
2-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 35375171

Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide?
The IUPAC name of 5-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide (CID 56552908) is 5-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide.
What is the SMILES notation for 5-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide?
The canonical SMILES for 5-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide is CCCN(CCC)C(=O)CCCC(=O)N1CCN(c2ccc(Br)cn2)CC1.
What is the InChIKey of 5-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide?
The InChIKey is GVUYCDRYLOBSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31BrN4O2/c1-3-10-24(11-4-2)19(26)6-5-7-20(27)25-14-12-23(13-15-25)18-9-8-17(21)16-22-18/h8-9,16H,3-7,10-15H2,1-2H3.
What are the key properties of 5-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide?
5-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide has a molecular weight of 439.40 g/mol, XLogP of 3.31, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide is sourced from PubChem (CID 56552908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).