1-[[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one

C14H19ClN4O — CID 14554102

IUPAC1-[[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1CCN(c2cc(Cl)ncn2)CC1
InChIInChI=1S/C14H19ClN4O/c15-12-8-13(17-10-16-12)18-6-3-11(4-7-18)9-19-5-1-2-14(19)20/h8,10-11H,1-7,9H2
InChIKeyOPVPRJXJXNNHKB-UHFFFAOYSA-N
MW294.79 g/mol
LogP1.97
Rot. Bonds3

About 1-[[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one

1-[[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one (PubChem CID 14554102) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 1-[[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one
PubChem CID14554102
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name1-[[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1CCN(c2cc(Cl)ncn2)CC1
InChIInChI=1S/C14H19ClN4O/c15-12-8-13(17-10-16-12)18-6-3-11(4-7-18)9-19-5-1-2-14(19)20/h8,10-11H,1-7,9H2
InChIKeyOPVPRJXJXNNHKB-UHFFFAOYSA-N
XLogP1.97
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one
CID 14554108
1-(6-chloropyrimidin-4-yl)piperidin-4-one;ethene
CID 22000286
1-[2-[1-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 126436676
1-[[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 70764539
4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 64596616
1-[[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]piperidin-2-one
CID 136518385
4-chloro-6-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 129497002
4-chloro-6-(4-methoxypiperidin-1-yl)pyrimidine
CID 22309693
1-[(1-tert-butylpiperidin-4-yl)methyl]pyrrolidin-2-one
CID 59776829
3-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 22309536
1-[[1-(2-chloro-4-nitrophenyl)piperidin-4-yl]methyl]piperidin-2-one
CID 133326242
4-chloro-6-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]pyrimidine
CID 93480988

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one (CID 14554102) is 1-[[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one is O=C1CCCN1CC1CCN(c2cc(Cl)ncn2)CC1.
What is the InChIKey of 1-[[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one?
The InChIKey is OPVPRJXJXNNHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c15-12-8-13(17-10-16-12)18-6-3-11(4-7-18)9-19-5-1-2-14(19)20/h8,10-11H,1-7,9H2.
What are the key properties of 1-[[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one?
1-[[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one has a molecular weight of 294.79 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 14554102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).