2-cyclopentyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]acetamide

C18H29N5O — CID 122320170

IUPAC2-cyclopentyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]acetamide
SMILESCN(C)c1nc(N2CCCCC2)ncc1NC(=O)CC1CCCC1
InChIInChI=1S/C18H29N5O/c1-22(2)17-15(20-16(24)12-14-8-4-5-9-14)13-19-18(21-17)23-10-6-3-7-11-23/h13-14H,3-12H2,1-2H3,(H,20,24)
InChIKeyGZDCHTPKLRRAKB-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.05
Rot. Bonds5

About 2-cyclopentyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]acetamide

2-cyclopentyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]acetamide (PubChem CID 122320170) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-cyclopentyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]acetamide
PubChem CID122320170
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name2-cyclopentyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]acetamide
SMILESCN(C)c1nc(N2CCCCC2)ncc1NC(=O)CC1CCCC1
InChIInChI=1S/C18H29N5O/c1-22(2)17-15(20-16(24)12-14-8-4-5-9-14)13-19-18(21-17)23-10-6-3-7-11-23/h13-14H,3-12H2,1-2H3,(H,20,24)
InChIKeyGZDCHTPKLRRAKB-UHFFFAOYSA-N
XLogP3.05
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]acetamide (CID 122320170) is 2-cyclopentyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]acetamide is CN(C)c1nc(N2CCCCC2)ncc1NC(=O)CC1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]acetamide?
The InChIKey is GZDCHTPKLRRAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-22(2)17-15(20-16(24)12-14-8-4-5-9-14)13-19-18(21-17)23-10-6-3-7-11-23/h13-14H,3-12H2,1-2H3,(H,20,24).
What are the key properties of 2-cyclopentyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]acetamide?
2-cyclopentyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]acetamide has a molecular weight of 331.46 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]acetamide is sourced from PubChem (CID 122320170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).