N-benzyl-2-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]acetamide

C20H24ClN5O — CID 133433117

IUPACN-benzyl-2-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2cc(Cl)nc(C3CC3)n2)CC1)NCc1ccccc1
InChIInChI=1S/C20H24ClN5O/c21-17-12-18(24-20(23-17)16-6-7-16)26-10-8-25(9-11-26)14-19(27)22-13-15-4-2-1-3-5-15/h1-5,12,16H,6-11,13-14H2,(H,22,27)
InChIKeyHXXKDFMOACWUBF-UHFFFAOYSA-N
MW385.90 g/mol
LogP2.45
Rot. Bonds6

About N-benzyl-2-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]acetamide

N-benzyl-2-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]acetamide (PubChem CID 133433117) has the molecular formula C20H24ClN5O and a molecular weight of 385.90 g/mol. Its IUPAC name is N-benzyl-2-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]acetamide
PubChem CID133433117
Molecular FormulaC20H24ClN5O
Molecular Weight385.90 g/mol
Exact Mass385.17
IUPAC NameN-benzyl-2-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2cc(Cl)nc(C3CC3)n2)CC1)NCc1ccccc1
InChIInChI=1S/C20H24ClN5O/c21-17-12-18(24-20(23-17)16-6-7-16)26-10-8-25(9-11-26)14-19(27)22-13-15-4-2-1-3-5-15/h1-5,12,16H,6-11,13-14H2,(H,22,27)
InChIKeyHXXKDFMOACWUBF-UHFFFAOYSA-N
XLogP2.45
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[4-(1-chloroisoquinolin-3-yl)piperazin-1-yl]acetamide
CID 134006985
1-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 75396545
N-benzyl-2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]acetamide
CID 51323012
N-benzyl-2-(4-pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 75391386
methyl 1-(6-chloro-2-cyclopropylpyrimidin-4-yl)-5-phenylpiperidine-3-carboxylate
CID 133421842
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
N-benzyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 51104503
N-benzyl-2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]acetamide
CID 24607580
[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone
CID 133418346
4-chloro-6-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-cyclopropylpyrimidine
CID 133416150
N-benzyl-2-[4-[2-(2,5-dichloroanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29487883
N-benzyl-2-[4-(1-benzylpyrrolidine-2-carbonyl)piperazin-1-yl]acetamide
CID 55986557

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]acetamide (CID 133433117) is N-benzyl-2-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]acetamide is O=C(CN1CCN(c2cc(Cl)nc(C3CC3)n2)CC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]acetamide?
The InChIKey is HXXKDFMOACWUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O/c21-17-12-18(24-20(23-17)16-6-7-16)26-10-8-25(9-11-26)14-19(27)22-13-15-4-2-1-3-5-15/h1-5,12,16H,6-11,13-14H2,(H,22,27).
What are the key properties of N-benzyl-2-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]acetamide?
N-benzyl-2-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]acetamide has a molecular weight of 385.90 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 133433117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).