[4-[(2-cyclohexylpyrimidin-5-yl)methyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone

C20H31N5O — CID 56882656

IUPAC[4-[(2-cyclohexylpyrimidin-5-yl)methyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CN(Cc2cnc(C3CCCCC3)nc2)CCN1)N1CCCC1
InChIInChI=1S/C20H31N5O/c26-20(25-9-4-5-10-25)18-15-24(11-8-21-18)14-16-12-22-19(23-13-16)17-6-2-1-3-7-17/h12-13,17-18,21H,1-11,14-15H2
InChIKeyWGQDDOJOPSFYGN-UHFFFAOYSA-N
MW357.50 g/mol
LogP1.92
Rot. Bonds4

About [4-[(2-cyclohexylpyrimidin-5-yl)methyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone

[4-[(2-cyclohexylpyrimidin-5-yl)methyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 56882656) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is [4-[(2-cyclohexylpyrimidin-5-yl)methyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[(2-cyclohexylpyrimidin-5-yl)methyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID56882656
Molecular FormulaC20H31N5O
Molecular Weight357.50 g/mol
Exact Mass357.25
IUPAC Name[4-[(2-cyclohexylpyrimidin-5-yl)methyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CN(Cc2cnc(C3CCCCC3)nc2)CCN1)N1CCCC1
InChIInChI=1S/C20H31N5O/c26-20(25-9-4-5-10-25)18-15-24(11-8-21-18)14-16-12-22-19(23-13-16)17-6-2-1-3-7-17/h12-13,17-18,21H,1-11,14-15H2
InChIKeyWGQDDOJOPSFYGN-UHFFFAOYSA-N
XLogP1.92
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(2-cyclohexylpyrimidin-5-yl)methyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

[4-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 56915918
2-cyclohexyl-5-[[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]pyrimidine
CID 99960847
[(3S,4S)-4-(azepan-1-ylmethyl)-1-[(2-cyclohexylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 133128512
3-[(3S)-1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-3-yl]benzoic acid
CID 97199508
N-[[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]acetamide
CID 70737977
4-[(6-chloro-3-pyridinyl)methyl]piperazine-2-carboxylic acid
CID 71649664
[(2S)-1-[(2-cyclohexylpyrimidin-5-yl)methyl]azepan-2-yl]methanol
CID 99929248
azepan-1-yl-[(2R)-piperidin-2-yl]methanone
CID 7183049
azepan-1-yl(azepan-2-yl)methanone
CID 64562203
(6-chloro-3-pyridinyl)methyl (2R)-4-[(6-chloro-3-pyridinyl)methyl]piperazine-2-carboxylate
CID 86329725
(3aR,6aR)-5-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 133130568
azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119676414

Frequently Asked Questions

What is the IUPAC name of [4-[(2-cyclohexylpyrimidin-5-yl)methyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[(2-cyclohexylpyrimidin-5-yl)methyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone (CID 56882656) is [4-[(2-cyclohexylpyrimidin-5-yl)methyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[(2-cyclohexylpyrimidin-5-yl)methyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[(2-cyclohexylpyrimidin-5-yl)methyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone is O=C(C1CN(Cc2cnc(C3CCCCC3)nc2)CCN1)N1CCCC1.
What is the InChIKey of [4-[(2-cyclohexylpyrimidin-5-yl)methyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is WGQDDOJOPSFYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O/c26-20(25-9-4-5-10-25)18-15-24(11-8-21-18)14-16-12-22-19(23-13-16)17-6-2-1-3-7-17/h12-13,17-18,21H,1-11,14-15H2.
What are the key properties of [4-[(2-cyclohexylpyrimidin-5-yl)methyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone?
[4-[(2-cyclohexylpyrimidin-5-yl)methyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 357.50 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-cyclohexylpyrimidin-5-yl)methyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 56882656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).