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

C19H29N5O — CID 46967162

IUPAC1-[[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1CCCN(Cc2ccnc(N3CCCC3)n2)C1
InChIInChI=1S/C19H29N5O/c25-18-6-4-12-24(18)14-16-5-3-9-22(13-16)15-17-7-8-20-19(21-17)23-10-1-2-11-23/h7-8,16H,1-6,9-15H2
InChIKeyHRBOFOZMVLWRKR-UHFFFAOYSA-N
MW343.48 g/mol
LogP1.91
Rot. Bonds5

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

1-[[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methyl]pyrrolidin-2-one (PubChem CID 46967162) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 1-[[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methyl]pyrrolidin-2-one
PubChem CID46967162
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name1-[[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1CCCN(Cc2ccnc(N3CCCC3)n2)C1
InChIInChI=1S/C19H29N5O/c25-18-6-4-12-24(18)14-16-5-3-9-22(13-16)15-17-7-8-20-19(21-17)23-10-1-2-11-23/h7-8,16H,1-6,9-15H2
InChIKeyHRBOFOZMVLWRKR-UHFFFAOYSA-N
XLogP1.91
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

2-pyrrolidin-1-yl-4-[[(3S)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyrimidine
CID 51505424
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CID 125002978
azepan-1-yl-[(3R)-1-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methanone
CID 92612882
4-[[(2R)-2-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
CID 51590087
4-[4-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]pyrimidin-2-yl]morpholine
CID 92612884
4-[[1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine
CID 75422646
4-[[(3S)-1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine
CID 97318478
4-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
CID 51614940
1-[[1-(6-aminopyrazin-2-yl)piperidin-3-yl]methyl]pyrrolidin-2-one
CID 146041958
1-[[(3R)-1-(6,7-dimethoxyquinolin-4-yl)piperidin-3-yl]methyl]piperidin-2-one
CID 70313258
N-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-4-yl]cyclopentanecarboxamide
CID 46967148
1-[[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methyl]pyrrolidin-2-one
CID 56760356

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methyl]pyrrolidin-2-one (CID 46967162) is 1-[[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methyl]pyrrolidin-2-one is O=C1CCCN1CC1CCCN(Cc2ccnc(N3CCCC3)n2)C1.
What is the InChIKey of 1-[[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methyl]pyrrolidin-2-one?
The InChIKey is HRBOFOZMVLWRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c25-18-6-4-12-24(18)14-16-5-3-9-22(13-16)15-17-7-8-20-19(21-17)23-10-1-2-11-23/h7-8,16H,1-6,9-15H2.
What are the key properties of 1-[[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methyl]pyrrolidin-2-one?
1-[[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methyl]pyrrolidin-2-one has a molecular weight of 343.48 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 46967162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).