N-cyclopentyl-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide

C20H33N5O — CID 55988447

IUPACN-cyclopentyl-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
SMILESCc1cc(N2CCN(CCC(=O)NC3CCCC3)CC2)nc(C(C)C)n1
InChIInChI=1S/C20H33N5O/c1-15(2)20-21-16(3)14-18(23-20)25-12-10-24(11-13-25)9-8-19(26)22-17-6-4-5-7-17/h14-15,17H,4-13H2,1-3H3,(H,22,26)
InChIKeyIEHNFAYOWKEJEN-UHFFFAOYSA-N
MW359.52 g/mol
LogP2.48
Rot. Bonds6

About N-cyclopentyl-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide

N-cyclopentyl-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide (PubChem CID 55988447) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is N-cyclopentyl-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
PubChem CID55988447
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC NameN-cyclopentyl-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
SMILESCc1cc(N2CCN(CCC(=O)NC3CCCC3)CC2)nc(C(C)C)n1
InChIInChI=1S/C20H33N5O/c1-15(2)20-21-16(3)14-18(23-20)25-12-10-24(11-13-25)9-8-19(26)22-17-6-4-5-7-17/h14-15,17H,4-13H2,1-3H3,(H,22,26)
InChIKeyIEHNFAYOWKEJEN-UHFFFAOYSA-N
XLogP2.48
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dichlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 24589360
3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide
CID 24589356
2-methyl-N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]propanamide
CID 133354611
1-(2,6-dimethylpiperidin-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 51244375
methyl 2-[methyl-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]amino]acetate
CID 84585847
N-cyclohexyl-3-[4-(4-methylphenyl)piperazin-1-yl]propanamide
CID 66989567
methyl 4-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethoxy]benzoate
CID 55832039
2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide
CID 26376603
2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 26376740
(3aS,7aS)-2-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 92855739
N-cyclopentyl-3-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propanamide
CID 95284643
2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 34907773

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide?
The IUPAC name of N-cyclopentyl-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide (CID 55988447) is N-cyclopentyl-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclopentyl-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide is Cc1cc(N2CCN(CCC(=O)NC3CCCC3)CC2)nc(C(C)C)n1.
What is the InChIKey of N-cyclopentyl-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide?
The InChIKey is IEHNFAYOWKEJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O/c1-15(2)20-21-16(3)14-18(23-20)25-12-10-24(11-13-25)9-8-19(26)22-17-6-4-5-7-17/h14-15,17H,4-13H2,1-3H3,(H,22,26).
What are the key properties of N-cyclopentyl-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide?
N-cyclopentyl-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide has a molecular weight of 359.52 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 55988447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).