N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(2-oxopyrimidin-1-yl)acetamide

C18H28N4O2 — CID 51097113

IUPACN-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cccnc1=O)NC1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C18H28N4O2/c23-17(14-22-10-4-9-19-18(22)24)20-16-7-11-21(12-8-16)13-15-5-2-1-3-6-15/h4,9-10,15-16H,1-3,5-8,11-14H2,(H,20,23)
InChIKeySHXFVYQDEOERLA-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.40
Rot. Bonds5

About N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(2-oxopyrimidin-1-yl)acetamide

N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 51097113) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID51097113
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cccnc1=O)NC1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C18H28N4O2/c23-17(14-22-10-4-9-19-18(22)24)20-16-7-11-21(12-8-16)13-15-5-2-1-3-6-15/h4,9-10,15-16H,1-3,5-8,11-14H2,(H,20,23)
InChIKeySHXFVYQDEOERLA-UHFFFAOYSA-N
XLogP1.40
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(2-oxopyrimidin-1-yl)acetamide (CID 51097113) is N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(2-oxopyrimidin-1-yl)acetamide is O=C(Cn1cccnc1=O)NC1CCN(CC2CCCCC2)CC1.
What is the InChIKey of N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is SHXFVYQDEOERLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c23-17(14-22-10-4-9-19-18(22)24)20-16-7-11-21(12-8-16)13-15-5-2-1-3-6-15/h4,9-10,15-16H,1-3,5-8,11-14H2,(H,20,23).
What are the key properties of N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(2-oxopyrimidin-1-yl)acetamide?
N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 332.45 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 51097113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).