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

C28H35N5O2 — CID 46631297

IUPAC2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide
SMILESCc1cc(N2CCN(C(C)C(=O)Nc3ccc(OCc4ccccc4)cc3)CC2)nc(C(C)C)n1
InChIInChI=1S/C28H35N5O2/c1-20(2)27-29-21(3)18-26(31-27)33-16-14-32(15-17-33)22(4)28(34)30-24-10-12-25(13-11-24)35-19-23-8-6-5-7-9-23/h5-13,18,20,22H,14-17,19H2,1-4H3,(H,30,34)
InChIKeyVLVKAPIHUFPBKT-UHFFFAOYSA-N
MW473.62 g/mol
LogP4.64
Rot. Bonds8

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

2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide (PubChem CID 46631297) has the molecular formula C28H35N5O2 and a molecular weight of 473.62 g/mol. Its IUPAC name is 2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide
PubChem CID46631297
Molecular FormulaC28H35N5O2
Molecular Weight473.62 g/mol
Exact Mass473.28
IUPAC Name2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide
SMILESCc1cc(N2CCN(C(C)C(=O)Nc3ccc(OCc4ccccc4)cc3)CC2)nc(C(C)C)n1
InChIInChI=1S/C28H35N5O2/c1-20(2)27-29-21(3)18-26(31-27)33-16-14-32(15-17-33)22(4)28(34)30-24-10-12-25(13-11-24)35-19-23-8-6-5-7-9-23/h5-13,18,20,22H,14-17,19H2,1-4H3,(H,30,34)
InChIKeyVLVKAPIHUFPBKT-UHFFFAOYSA-N
XLogP4.64
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(3-bromophenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 25477477
[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 46656199
(2R)-N-[(4-methylphenyl)methyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 25487651
N-(4-methoxyphenyl)-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 30938906
N-carbamoyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 46631339
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide
CID 111332432
(2R)-N-(4-ethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9446065
N-(4-methoxy-2-nitrophenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 46631289
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 42895887
(2S)-2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide
CID 25352583
2-(2-methyl-4-oxoquinazolin-3-yl)-N-(4-phenylmethoxyphenyl)propanamide
CID 43022874
1-(2,3-dihydroindol-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 18094610

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide?
The IUPAC name of 2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide (CID 46631297) is 2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for 2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide?
The canonical SMILES for 2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide is Cc1cc(N2CCN(C(C)C(=O)Nc3ccc(OCc4ccccc4)cc3)CC2)nc(C(C)C)n1.
What is the InChIKey of 2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide?
The InChIKey is VLVKAPIHUFPBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O2/c1-20(2)27-29-21(3)18-26(31-27)33-16-14-32(15-17-33)22(4)28(34)30-24-10-12-25(13-11-24)35-19-23-8-6-5-7-9-23/h5-13,18,20,22H,14-17,19H2,1-4H3,(H,30,34).
What are the key properties of 2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide?
2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide has a molecular weight of 473.62 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 46631297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).