N-[3-[4-(4-cyano-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-oxopropyl]acetamide

C15H20N6O2 — CID 110426660

IUPACN-[3-[4-(4-cyano-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-oxopropyl]acetamide
SMILESCC(=O)NCCC(=O)N1CCN(c2nc(C)cc(C#N)n2)CC1
InChIInChI=1S/C15H20N6O2/c1-11-9-13(10-16)19-15(18-11)21-7-5-20(6-8-21)14(23)3-4-17-12(2)22/h9H,3-8H2,1-2H3,(H,17,22)
InChIKeyCLANEWMCEMSWCT-UHFFFAOYSA-N
MW316.37 g/mol
LogP-0.17
Rot. Bonds4

About N-[3-[4-(4-cyano-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-oxopropyl]acetamide

N-[3-[4-(4-cyano-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-oxopropyl]acetamide (PubChem CID 110426660) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is N-[3-[4-(4-cyano-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(4-cyano-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-oxopropyl]acetamide
PubChem CID110426660
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC NameN-[3-[4-(4-cyano-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-oxopropyl]acetamide
SMILESCC(=O)NCCC(=O)N1CCN(c2nc(C)cc(C#N)n2)CC1
InChIInChI=1S/C15H20N6O2/c1-11-9-13(10-16)19-15(18-11)21-7-5-20(6-8-21)14(23)3-4-17-12(2)22/h9H,3-8H2,1-2H3,(H,17,22)
InChIKeyCLANEWMCEMSWCT-UHFFFAOYSA-N
XLogP-0.17
TPSA102.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[4-(3,4-dimethylphenyl)butanoyl]piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 110426654
methyl 4-(4-cyano-6-methylpyrimidin-2-yl)piperazine-1-carboxylate
CID 110404220
2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 110404182
4-(4-cyano-6-methylpyrimidin-2-yl)-N-cyclohexylpiperazine-1-carboxamide
CID 110404200
2-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 110613115
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 110404178
2-[4-(cyanomethyl)piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 107543240
2-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 110426690
1-(4-cyano-6-methylpyrimidin-2-yl)-4-methylpiperidine-4-carboxylic acid
CID 107542961
1-(4-cyano-6-methylpyrimidin-2-yl)-4-ethylpiperidine-4-carboxylic acid
CID 107542962
2-[4-[2-(dimethylamino)-2-phenylacetyl]piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 110613117
2-[4-[(E)-3-(2-fluorophenyl)-2-methylprop-2-enoyl]piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 110618816

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-cyano-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-oxopropyl]acetamide?
The IUPAC name of N-[3-[4-(4-cyano-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-oxopropyl]acetamide (CID 110426660) is N-[3-[4-(4-cyano-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-oxopropyl]acetamide.
What is the SMILES notation for N-[3-[4-(4-cyano-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-oxopropyl]acetamide?
The canonical SMILES for N-[3-[4-(4-cyano-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-oxopropyl]acetamide is CC(=O)NCCC(=O)N1CCN(c2nc(C)cc(C#N)n2)CC1.
What is the InChIKey of N-[3-[4-(4-cyano-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-oxopropyl]acetamide?
The InChIKey is CLANEWMCEMSWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-11-9-13(10-16)19-15(18-11)21-7-5-20(6-8-21)14(23)3-4-17-12(2)22/h9H,3-8H2,1-2H3,(H,17,22).
What are the key properties of N-[3-[4-(4-cyano-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-oxopropyl]acetamide?
N-[3-[4-(4-cyano-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-oxopropyl]acetamide has a molecular weight of 316.37 g/mol, XLogP of -0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-cyano-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-oxopropyl]acetamide is sourced from PubChem (CID 110426660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).