N-[4-[[4-(6-chloropyrimidin-4-yl)-3-oxopiperazin-1-yl]methyl]phenyl]acetamide

C17H18ClN5O2 — CID 134792303

IUPACN-[4-[[4-(6-chloropyrimidin-4-yl)-3-oxopiperazin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCN(c3cc(Cl)ncn3)C(=O)C2)cc1
InChIInChI=1S/C17H18ClN5O2/c1-12(24)21-14-4-2-13(3-5-14)9-22-6-7-23(17(25)10-22)16-8-15(18)19-11-20-16/h2-5,8,11H,6-7,9-10H2,1H3,(H,21,24)
InChIKeyBWTMMRNGVCONCL-UHFFFAOYSA-N
MW359.82 g/mol
LogP1.94
Rot. Bonds4

About N-[4-[[4-(6-chloropyrimidin-4-yl)-3-oxopiperazin-1-yl]methyl]phenyl]acetamide

N-[4-[[4-(6-chloropyrimidin-4-yl)-3-oxopiperazin-1-yl]methyl]phenyl]acetamide (PubChem CID 134792303) has the molecular formula C17H18ClN5O2 and a molecular weight of 359.82 g/mol. Its IUPAC name is N-[4-[[4-(6-chloropyrimidin-4-yl)-3-oxopiperazin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(6-chloropyrimidin-4-yl)-3-oxopiperazin-1-yl]methyl]phenyl]acetamide
PubChem CID134792303
Molecular FormulaC17H18ClN5O2
Molecular Weight359.82 g/mol
Exact Mass359.11
IUPAC NameN-[4-[[4-(6-chloropyrimidin-4-yl)-3-oxopiperazin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCN(c3cc(Cl)ncn3)C(=O)C2)cc1
InChIInChI=1S/C17H18ClN5O2/c1-12(24)21-14-4-2-13(3-5-14)9-22-6-7-23(17(25)10-22)16-8-15(18)19-11-20-16/h2-5,8,11H,6-7,9-10H2,1H3,(H,21,24)
InChIKeyBWTMMRNGVCONCL-UHFFFAOYSA-N
XLogP1.94
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 122157779
4-[(4-chlorophenyl)methyl]-1-(6-chloropyridazin-3-yl)piperazin-2-one
CID 134795454
N-[4-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide
CID 3793854
N-[4-[(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]phenyl]acetamide
CID 169138122
N-[4-[(3-benzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methyl]phenyl]acetamide
CID 160873477
N-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 23826694
N-[4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]phenyl]acetamide
CID 46089334
N-[4-[(3-methyl-4-propan-2-ylpiperazin-1-yl)methyl]phenyl]acetamide
CID 50968007
N-[4-[[3-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]acetamide
CID 171996910
N-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]acetamide
CID 26458271
N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride
CID 118025180
N-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 63596528

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(6-chloropyrimidin-4-yl)-3-oxopiperazin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(6-chloropyrimidin-4-yl)-3-oxopiperazin-1-yl]methyl]phenyl]acetamide (CID 134792303) is N-[4-[[4-(6-chloropyrimidin-4-yl)-3-oxopiperazin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(6-chloropyrimidin-4-yl)-3-oxopiperazin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(6-chloropyrimidin-4-yl)-3-oxopiperazin-1-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2CCN(c3cc(Cl)ncn3)C(=O)C2)cc1.
What is the InChIKey of N-[4-[[4-(6-chloropyrimidin-4-yl)-3-oxopiperazin-1-yl]methyl]phenyl]acetamide?
The InChIKey is BWTMMRNGVCONCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O2/c1-12(24)21-14-4-2-13(3-5-14)9-22-6-7-23(17(25)10-22)16-8-15(18)19-11-20-16/h2-5,8,11H,6-7,9-10H2,1H3,(H,21,24).
What are the key properties of N-[4-[[4-(6-chloropyrimidin-4-yl)-3-oxopiperazin-1-yl]methyl]phenyl]acetamide?
N-[4-[[4-(6-chloropyrimidin-4-yl)-3-oxopiperazin-1-yl]methyl]phenyl]acetamide has a molecular weight of 359.82 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(6-chloropyrimidin-4-yl)-3-oxopiperazin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 134792303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).