cyclopentyl-[4-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone

C23H31N5O — CID 163305455

IUPACcyclopentyl-[4-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone
SMILESCN(C)c1ccc(-c2ccnc(NC3CCN(C(=O)C4CCCC4)CC3)n2)cc1
InChIInChI=1S/C23H31N5O/c1-27(2)20-9-7-17(8-10-20)21-11-14-24-23(26-21)25-19-12-15-28(16-13-19)22(29)18-5-3-4-6-18/h7-11,14,18-19H,3-6,12-13,15-16H2,1-2H3,(H,24,25,26)
InChIKeyUDHUEGDSLOAQSV-UHFFFAOYSA-N
MW393.54 g/mol
LogP3.80
Rot. Bonds5

About cyclopentyl-[4-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone

cyclopentyl-[4-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone (PubChem CID 163305455) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is cyclopentyl-[4-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone
PubChem CID163305455
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC Namecyclopentyl-[4-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone
SMILESCN(C)c1ccc(-c2ccnc(NC3CCN(C(=O)C4CCCC4)CC3)n2)cc1
InChIInChI=1S/C23H31N5O/c1-27(2)20-9-7-17(8-10-20)21-11-14-24-23(26-21)25-19-12-15-28(16-13-19)22(29)18-5-3-4-6-18/h7-11,14,18-19H,3-6,12-13,15-16H2,1-2H3,(H,24,25,26)
InChIKeyUDHUEGDSLOAQSV-UHFFFAOYSA-N
XLogP3.80
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3S,3aR,6S,6aR)-3-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-cyclohexylurea
CID 11939797
[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]-cyclopentylmethanone
CID 58716733
N-[1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]piperidin-4-yl]acetamide
CID 162626102
1-cyclohexyl-3-[3-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]thiourea
CID 74699951
cyclohexyl-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone
CID 113078713
4-[4-(dimethylamino)phenyl]-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine
CID 162625969
4-N,4-N-dimethyl-1-N-[1-[4-[[4-[6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]ethenyl]benzene-1,4-diamine;ethane
CID 143219834
(3S)-3-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid
CID 68726312
4-(4-methoxyphenyl)-N-(1-methoxypiperidin-4-yl)pyrimidin-2-amine
CID 167788437
2-(cyclopentylamino)pyrimidine-4-carboxylic acid
CID 91076843
[4-[(2-chloro-4-pyridinyl)amino]piperidin-1-yl]-cyclohexylmethanone
CID 133373916
3-[(4-phenylpyrimidin-2-yl)amino]cyclohexane-1-carboxamide
CID 117073719

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone (CID 163305455) is cyclopentyl-[4-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone is CN(C)c1ccc(-c2ccnc(NC3CCN(C(=O)C4CCCC4)CC3)n2)cc1.
What is the InChIKey of cyclopentyl-[4-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone?
The InChIKey is UDHUEGDSLOAQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O/c1-27(2)20-9-7-17(8-10-20)21-11-14-24-23(26-21)25-19-12-15-28(16-13-19)22(29)18-5-3-4-6-18/h7-11,14,18-19H,3-6,12-13,15-16H2,1-2H3,(H,24,25,26).
What are the key properties of cyclopentyl-[4-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone?
cyclopentyl-[4-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone has a molecular weight of 393.54 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 163305455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).