5-oxo-5-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-N-propylpentanamide

C22H29N5O2 — CID 75463637

IUPAC5-oxo-5-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-N-propylpentanamide
SMILESCCCNC(=O)CCCC(=O)N1CCN(c2ccnc(-c3ccccc3)n2)CC1
InChIInChI=1S/C22H29N5O2/c1-2-12-23-20(28)9-6-10-21(29)27-16-14-26(15-17-27)19-11-13-24-22(25-19)18-7-4-3-5-8-18/h3-5,7-8,11,13H,2,6,9-10,12,14-17H2,1H3,(H,23,28)
InChIKeyYEYPFINLNWZRIQ-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.49
Rot. Bonds8

About 5-oxo-5-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-N-propylpentanamide

5-oxo-5-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-N-propylpentanamide (PubChem CID 75463637) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 5-oxo-5-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-N-propylpentanamide.

Molecular Properties

Compound Name5-oxo-5-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-N-propylpentanamide
PubChem CID75463637
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name5-oxo-5-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-N-propylpentanamide
SMILESCCCNC(=O)CCCC(=O)N1CCN(c2ccnc(-c3ccccc3)n2)CC1
InChIInChI=1S/C22H29N5O2/c1-2-12-23-20(28)9-6-10-21(29)27-16-14-26(15-17-27)19-11-13-24-22(25-19)18-7-4-3-5-8-18/h3-5,7-8,11,13H,2,6,9-10,12,14-17H2,1H3,(H,23,28)
InChIKeyYEYPFINLNWZRIQ-UHFFFAOYSA-N
XLogP2.49
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenoxy-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]butan-1-one
CID 56537482
1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-2-propan-2-yloxyethanone
CID 75463330
2-(N-ethylanilino)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 56537209
1-[5-oxo-5-(propylamino)pentanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168339
1-ethyl-3-[2-methyl-1-oxo-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-yl]urea
CID 75463875
2-phenyl-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]butan-1-one
CID 56537149
2-(2-chlorophenyl)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 56528341
2-(2-methylphenyl)sulfanyl-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 56537337
[4-(ethylsulfanylmethyl)phenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537305
3-(1-phenylpyrazol-4-yl)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 56537547
3-(3-chlorophenoxy)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 56537192
3-(1H-indol-3-yl)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 56537546

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-N-propylpentanamide?
The IUPAC name of 5-oxo-5-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-N-propylpentanamide (CID 75463637) is 5-oxo-5-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-N-propylpentanamide.
What is the SMILES notation for 5-oxo-5-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-N-propylpentanamide?
The canonical SMILES for 5-oxo-5-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-N-propylpentanamide is CCCNC(=O)CCCC(=O)N1CCN(c2ccnc(-c3ccccc3)n2)CC1.
What is the InChIKey of 5-oxo-5-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-N-propylpentanamide?
The InChIKey is YEYPFINLNWZRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-2-12-23-20(28)9-6-10-21(29)27-16-14-26(15-17-27)19-11-13-24-22(25-19)18-7-4-3-5-8-18/h3-5,7-8,11,13H,2,6,9-10,12,14-17H2,1H3,(H,23,28).
What are the key properties of 5-oxo-5-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-N-propylpentanamide?
5-oxo-5-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-N-propylpentanamide has a molecular weight of 395.51 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-N-propylpentanamide is sourced from PubChem (CID 75463637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).