1-[1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]imidazolidin-2-one

C18H29N7O — CID 167815242

IUPAC1-[1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]imidazolidin-2-one
SMILESCN1CCN(c2ncc(CN3CCCC(N4CCNC4=O)C3)cn2)CC1
InChIInChI=1S/C18H29N7O/c1-22-7-9-24(10-8-22)17-20-11-15(12-21-17)13-23-5-2-3-16(14-23)25-6-4-19-18(25)26/h11-12,16H,2-10,13-14H2,1H3,(H,19,26)
InChIKeyYPWKJQNOROBNFR-UHFFFAOYSA-N
MW359.48 g/mol
LogP0.22
Rot. Bonds4

About 1-[1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]imidazolidin-2-one

1-[1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]imidazolidin-2-one (PubChem CID 167815242) has the molecular formula C18H29N7O and a molecular weight of 359.48 g/mol. Its IUPAC name is 1-[1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]imidazolidin-2-one
PubChem CID167815242
Molecular FormulaC18H29N7O
Molecular Weight359.48 g/mol
Exact Mass359.24
IUPAC Name1-[1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]imidazolidin-2-one
SMILESCN1CCN(c2ncc(CN3CCCC(N4CCNC4=O)C3)cn2)CC1
InChIInChI=1S/C18H29N7O/c1-22-7-9-24(10-8-22)17-20-11-15(12-21-17)13-23-5-2-3-16(14-23)25-6-4-19-18(25)26/h11-12,16H,2-10,13-14H2,1H3,(H,19,26)
InChIKeyYPWKJQNOROBNFR-UHFFFAOYSA-N
XLogP0.22
TPSA67.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]imidazolidin-2-one with MolForge

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Related Compounds

1-(1-benzylpiperidin-3-yl)imidazolidin-2-one
CID 78980069
1-[(3R)-1-[(5-bromothiophen-3-yl)methyl]piperidin-3-yl]imidazolidin-2-one
CID 94216420
1-[(3R)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]imidazolidin-2-one
CID 95585798
3-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]propanoic acid
CID 102549085
1-[(3S)-1-[(1-butyltetrazol-5-yl)methyl]piperidin-3-yl]imidazolidin-2-one
CID 95585835
1-[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]imidazolidin-2-one
CID 56821531
1-[(3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]imidazolidin-2-one
CID 95590509
1-[1-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-3-yl]imidazolidin-2-one
CID 71915672
(3R)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-3-ol
CID 92567647
1-[(3R)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]imidazolidin-2-one
CID 95590514
1-[(3R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]imidazolidin-2-one
CID 95151332
1-(1-methylpyrrolidin-3-yl)imidazolidin-2-one
CID 115370558

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]imidazolidin-2-one (CID 167815242) is 1-[1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]imidazolidin-2-one is CN1CCN(c2ncc(CN3CCCC(N4CCNC4=O)C3)cn2)CC1.
What is the InChIKey of 1-[1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]imidazolidin-2-one?
The InChIKey is YPWKJQNOROBNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N7O/c1-22-7-9-24(10-8-22)17-20-11-15(12-21-17)13-23-5-2-3-16(14-23)25-6-4-19-18(25)26/h11-12,16H,2-10,13-14H2,1H3,(H,19,26).
What are the key properties of 1-[1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]imidazolidin-2-one?
1-[1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]imidazolidin-2-one has a molecular weight of 359.48 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]imidazolidin-2-one is sourced from PubChem (CID 167815242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).