2-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile

C18H25N5O — CID 110426690

IUPAC2-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(N2CCN(C(=O)C(C)C3CCCC3)CC2)n1
InChIInChI=1S/C18H25N5O/c1-13-11-16(12-19)21-18(20-13)23-9-7-22(8-10-23)17(24)14(2)15-5-3-4-6-15/h11,14-15H,3-10H2,1-2H3
InChIKeyJVBLBXCZXZLFJD-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.13
Rot. Bonds3

About 2-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile

2-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile (PubChem CID 110426690) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile
PubChem CID110426690
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name2-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(N2CCN(C(=O)C(C)C3CCCC3)CC2)n1
InChIInChI=1S/C18H25N5O/c1-13-11-16(12-19)21-18(20-13)23-9-7-22(8-10-23)17(24)14(2)15-5-3-4-6-15/h11,14-15H,3-10H2,1-2H3
InChIKeyJVBLBXCZXZLFJD-UHFFFAOYSA-N
XLogP2.13
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile (CID 110426690) is 2-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile is Cc1cc(C#N)nc(N2CCN(C(=O)C(C)C3CCCC3)CC2)n1.
What is the InChIKey of 2-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile?
The InChIKey is JVBLBXCZXZLFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-13-11-16(12-19)21-18(20-13)23-9-7-22(8-10-23)17(24)14(2)15-5-3-4-6-15/h11,14-15H,3-10H2,1-2H3.
What are the key properties of 2-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile?
2-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile has a molecular weight of 327.43 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 110426690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).