4-methyl-1-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one

C20H32N4O — CID 70712220

IUPAC4-methyl-1-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one
SMILESCc1nc(C2CCCN(C(=O)CCC(C)C)C2)cc(N2CCCC2)n1
InChIInChI=1S/C20H32N4O/c1-15(2)8-9-20(25)24-12-6-7-17(14-24)18-13-19(22-16(3)21-18)23-10-4-5-11-23/h13,15,17H,4-12,14H2,1-3H3
InChIKeyPHVOHPNTIAVDKV-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.53
Rot. Bonds5

About 4-methyl-1-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one

4-methyl-1-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one (PubChem CID 70712220) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 4-methyl-1-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name4-methyl-1-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one
PubChem CID70712220
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name4-methyl-1-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one
SMILESCc1nc(C2CCCN(C(=O)CCC(C)C)C2)cc(N2CCCC2)n1
InChIInChI=1S/C20H32N4O/c1-15(2)8-9-20(25)24-12-6-7-17(14-24)18-13-19(22-16(3)21-18)23-10-4-5-11-23/h13,15,17H,4-12,14H2,1-3H3
InChIKeyPHVOHPNTIAVDKV-UHFFFAOYSA-N
XLogP3.53
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one?
The IUPAC name of 4-methyl-1-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one (CID 70712220) is 4-methyl-1-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 4-methyl-1-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one?
The canonical SMILES for 4-methyl-1-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one is Cc1nc(C2CCCN(C(=O)CCC(C)C)C2)cc(N2CCCC2)n1.
What is the InChIKey of 4-methyl-1-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one?
The InChIKey is PHVOHPNTIAVDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-15(2)8-9-20(25)24-12-6-7-17(14-24)18-13-19(22-16(3)21-18)23-10-4-5-11-23/h13,15,17H,4-12,14H2,1-3H3.
What are the key properties of 4-methyl-1-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one?
4-methyl-1-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one has a molecular weight of 344.50 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 70712220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).