N-[1-[2-[4-[acetyl(methyl)amino]piperidin-1-yl]-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]-N-methylacetamide

C23H38N6O2 — CID 75507403

IUPACN-[1-[2-[4-[acetyl(methyl)amino]piperidin-1-yl]-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(c2cc(C(C)C)nc(N3CCC(N(C)C(C)=O)CC3)n2)CC1
InChIInChI=1S/C23H38N6O2/c1-16(2)21-15-22(28-11-7-19(8-12-28)26(5)17(3)30)25-23(24-21)29-13-9-20(10-14-29)27(6)18(4)31/h15-16,19-20H,7-14H2,1-6H3
InChIKeyQNMYXVKWOSJJGG-UHFFFAOYSA-N
MW430.60 g/mol
LogP2.49
Rot. Bonds5

About N-[1-[2-[4-[acetyl(methyl)amino]piperidin-1-yl]-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]-N-methylacetamide

N-[1-[2-[4-[acetyl(methyl)amino]piperidin-1-yl]-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]-N-methylacetamide (PubChem CID 75507403) has the molecular formula C23H38N6O2 and a molecular weight of 430.60 g/mol. Its IUPAC name is N-[1-[2-[4-[acetyl(methyl)amino]piperidin-1-yl]-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-[2-[4-[acetyl(methyl)amino]piperidin-1-yl]-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]-N-methylacetamide
PubChem CID75507403
Molecular FormulaC23H38N6O2
Molecular Weight430.60 g/mol
Exact Mass430.31
IUPAC NameN-[1-[2-[4-[acetyl(methyl)amino]piperidin-1-yl]-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(c2cc(C(C)C)nc(N3CCC(N(C)C(C)=O)CC3)n2)CC1
InChIInChI=1S/C23H38N6O2/c1-16(2)21-15-22(28-11-7-19(8-12-28)26(5)17(3)30)25-23(24-21)29-13-9-20(10-14-29)27(6)18(4)31/h15-16,19-20H,7-14H2,1-6H3
InChIKeyQNMYXVKWOSJJGG-UHFFFAOYSA-N
XLogP2.49
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.60
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-[acetyl(methyl)amino]piperidin-1-yl]-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]-N-methylacetamide?
The IUPAC name of N-[1-[2-[4-[acetyl(methyl)amino]piperidin-1-yl]-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]-N-methylacetamide (CID 75507403) is N-[1-[2-[4-[acetyl(methyl)amino]piperidin-1-yl]-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-[2-[4-[acetyl(methyl)amino]piperidin-1-yl]-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]-N-methylacetamide?
The canonical SMILES for N-[1-[2-[4-[acetyl(methyl)amino]piperidin-1-yl]-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]-N-methylacetamide is CC(=O)N(C)C1CCN(c2cc(C(C)C)nc(N3CCC(N(C)C(C)=O)CC3)n2)CC1.
What is the InChIKey of N-[1-[2-[4-[acetyl(methyl)amino]piperidin-1-yl]-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]-N-methylacetamide?
The InChIKey is QNMYXVKWOSJJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N6O2/c1-16(2)21-15-22(28-11-7-19(8-12-28)26(5)17(3)30)25-23(24-21)29-13-9-20(10-14-29)27(6)18(4)31/h15-16,19-20H,7-14H2,1-6H3.
What are the key properties of N-[1-[2-[4-[acetyl(methyl)amino]piperidin-1-yl]-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]-N-methylacetamide?
N-[1-[2-[4-[acetyl(methyl)amino]piperidin-1-yl]-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]-N-methylacetamide has a molecular weight of 430.60 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[4-[acetyl(methyl)amino]piperidin-1-yl]-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 75507403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).