N-(1-phenylbutyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

C20H27N5O — CID 17470308

IUPACN-(1-phenylbutyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCCCC(NC(=O)CN1CCN(c2ncccn2)CC1)c1ccccc1
InChIInChI=1S/C20H27N5O/c1-2-7-18(17-8-4-3-5-9-17)23-19(26)16-24-12-14-25(15-13-24)20-21-10-6-11-22-20/h3-6,8-11,18H,2,7,12-16H2,1H3,(H,23,26)
InChIKeyUFPDAHCJDYDEDF-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.26
Rot. Bonds7

About N-(1-phenylbutyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

N-(1-phenylbutyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (PubChem CID 17470308) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(1-phenylbutyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-phenylbutyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
PubChem CID17470308
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN-(1-phenylbutyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCCCC(NC(=O)CN1CCN(c2ncccn2)CC1)c1ccccc1
InChIInChI=1S/C20H27N5O/c1-2-7-18(17-8-4-3-5-9-17)23-19(26)16-24-12-14-25(15-13-24)20-21-10-6-11-22-20/h3-6,8-11,18H,2,7,12-16H2,1H3,(H,23,26)
InChIKeyUFPDAHCJDYDEDF-UHFFFAOYSA-N
XLogP2.26
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylbutyl]acetamide
CID 9346721
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(1R)-1-phenylbutyl]acetamide
CID 9347122
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylbutyl]acetamide
CID 9346590
2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylbutyl)acetamide
CID 86868261
N-[(1S)-1-phenylbutyl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 9347917
(2S)-N-[(1R)-1-phenylbutyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide
CID 9346900
2-(4-aminopiperidin-1-yl)-N-(1-phenylbutyl)acetamide
CID 79322712
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(1-phenylbutyl)acetamide
CID 110891594
oxalic acid;N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 651293
1-[2-oxo-2-(1-phenylbutylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 119904107
N-(4-fluorophenyl)-2-[4-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]piperazin-1-yl]acetamide
CID 8719392
2-(1,4-diazepan-1-yl)-N-(1-phenylbutyl)acetamide
CID 62838472

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylbutyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(1-phenylbutyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (CID 17470308) is N-(1-phenylbutyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(1-phenylbutyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(1-phenylbutyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is CCCC(NC(=O)CN1CCN(c2ncccn2)CC1)c1ccccc1.
What is the InChIKey of N-(1-phenylbutyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is UFPDAHCJDYDEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-2-7-18(17-8-4-3-5-9-17)23-19(26)16-24-12-14-25(15-13-24)20-21-10-6-11-22-20/h3-6,8-11,18H,2,7,12-16H2,1H3,(H,23,26).
What are the key properties of N-(1-phenylbutyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
N-(1-phenylbutyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 353.47 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylbutyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 17470308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).