N-[(1R)-1-(4-chlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide

C23H30ClN5O2 — CID 26953818

IUPACN-[(1R)-1-(4-chlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide
SMILESCC(=O)N[C@H](CC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C23H30ClN5O2/c1-15(2)23-25-16(3)13-21(27-23)28-9-11-29(12-10-28)22(31)14-20(26-17(4)30)18-5-7-19(24)8-6-18/h5-8,13,15,20H,9-12,14H2,1-4H3,(H,26,30)/t20-/m1/s1
InChIKeyACHJUWYKUWDGLE-HXUWFJFHSA-N
MW443.98 g/mol
LogP3.48
Rot. Bonds6

About N-[(1R)-1-(4-chlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide

N-[(1R)-1-(4-chlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide (PubChem CID 26953818) has the molecular formula C23H30ClN5O2 and a molecular weight of 443.98 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide
PubChem CID26953818
Molecular FormulaC23H30ClN5O2
Molecular Weight443.98 g/mol
Exact Mass443.21
IUPAC NameN-[(1R)-1-(4-chlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide
SMILESCC(=O)N[C@H](CC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C23H30ClN5O2/c1-15(2)23-25-16(3)13-21(27-23)28-9-11-29(12-10-28)22(31)14-20(26-17(4)30)18-5-7-19(24)8-6-18/h5-8,13,15,20H,9-12,14H2,1-4H3,(H,26,30)/t20-/m1/s1
InChIKeyACHJUWYKUWDGLE-HXUWFJFHSA-N
XLogP3.48
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.98
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide (CID 26953818) is N-[(1R)-1-(4-chlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide is CC(=O)N[C@H](CC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide?
The InChIKey is ACHJUWYKUWDGLE-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H30ClN5O2/c1-15(2)23-25-16(3)13-21(27-23)28-9-11-29(12-10-28)22(31)14-20(26-17(4)30)18-5-7-19(24)8-6-18/h5-8,13,15,20H,9-12,14H2,1-4H3,(H,26,30)/t20-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide?
N-[(1R)-1-(4-chlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide has a molecular weight of 443.98 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide is sourced from PubChem (CID 26953818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).