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

C17H21N5O — CID 75391386

IUPACN-benzyl-2-(4-pyrimidin-4-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccncn2)CC1)NCc1ccccc1
InChIInChI=1S/C17H21N5O/c23-17(19-12-15-4-2-1-3-5-15)13-21-8-10-22(11-9-21)16-6-7-18-14-20-16/h1-7,14H,8-13H2,(H,19,23)
InChIKeyASCLRGGPJKFAPS-UHFFFAOYSA-N
MW311.39 g/mol
LogP0.92
Rot. Bonds5

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

N-benzyl-2-(4-pyrimidin-4-ylpiperazin-1-yl)acetamide (PubChem CID 75391386) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is N-benzyl-2-(4-pyrimidin-4-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-pyrimidin-4-ylpiperazin-1-yl)acetamide
PubChem CID75391386
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC NameN-benzyl-2-(4-pyrimidin-4-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccncn2)CC1)NCc1ccccc1
InChIInChI=1S/C17H21N5O/c23-17(19-12-15-4-2-1-3-5-15)13-21-8-10-22(11-9-21)16-6-7-18-14-20-16/h1-7,14H,8-13H2,(H,19,23)
InChIKeyASCLRGGPJKFAPS-UHFFFAOYSA-N
XLogP0.92
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]acetamide
CID 51323012
N-benzyl-2-[4-(1-chloroisoquinolin-3-yl)piperazin-1-yl]acetamide
CID 134006985
N-benzyl-2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]acetamide
CID 24607580
N-[(1-phenylpyrazol-4-yl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 86918805
N-benzyl-2-[4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]acetamide
CID 24607567
N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 6469246
N-benzyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90533919
N-benzyl-2-[4-(6-cyano-3-pyridinyl)piperazin-1-yl]acetamide
CID 133369980
(2R)-4-(benzylamino)-4-oxo-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]butanoic acid
CID 52901755
N-benzyl-2-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]acetamide
CID 30458417
N-benzyl-2-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 133433117
N-benzyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 30636979

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-pyrimidin-4-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-benzyl-2-(4-pyrimidin-4-ylpiperazin-1-yl)acetamide (CID 75391386) is N-benzyl-2-(4-pyrimidin-4-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(4-pyrimidin-4-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-benzyl-2-(4-pyrimidin-4-ylpiperazin-1-yl)acetamide is O=C(CN1CCN(c2ccncn2)CC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(4-pyrimidin-4-ylpiperazin-1-yl)acetamide?
The InChIKey is ASCLRGGPJKFAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c23-17(19-12-15-4-2-1-3-5-15)13-21-8-10-22(11-9-21)16-6-7-18-14-20-16/h1-7,14H,8-13H2,(H,19,23).
What are the key properties of N-benzyl-2-(4-pyrimidin-4-ylpiperazin-1-yl)acetamide?
N-benzyl-2-(4-pyrimidin-4-ylpiperazin-1-yl)acetamide has a molecular weight of 311.39 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-pyrimidin-4-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 75391386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).