N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide

C18H28N4O3 — CID 56893684

IUPACN-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESO=C(Cc1c[nH]c(=O)[nH]c1=O)NC1CCCN(CC2CCCCC2)C1
InChIInChI=1S/C18H28N4O3/c23-16(9-14-10-19-18(25)21-17(14)24)20-15-7-4-8-22(12-15)11-13-5-2-1-3-6-13/h10,13,15H,1-9,11-12H2,(H,20,23)(H2,19,21,24,25)
InChIKeyVHSUWWVDCJGGPW-UHFFFAOYSA-N
MW348.45 g/mol
LogP0.77
Rot. Bonds5

About N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide

N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 56893684) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
PubChem CID56893684
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESO=C(Cc1c[nH]c(=O)[nH]c1=O)NC1CCCN(CC2CCCCC2)C1
InChIInChI=1S/C18H28N4O3/c23-16(9-14-10-19-18(25)21-17(14)24)20-15-7-4-8-22(12-15)11-13-5-2-1-3-6-13/h10,13,15H,1-9,11-12H2,(H,20,23)(H2,19,21,24,25)
InChIKeyVHSUWWVDCJGGPW-UHFFFAOYSA-N
XLogP0.77
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide (CID 56893684) is N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide is O=C(Cc1c[nH]c(=O)[nH]c1=O)NC1CCCN(CC2CCCCC2)C1.
What is the InChIKey of N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is VHSUWWVDCJGGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c23-16(9-14-10-19-18(25)21-17(14)24)20-15-7-4-8-22(12-15)11-13-5-2-1-3-6-13/h10,13,15H,1-9,11-12H2,(H,20,23)(H2,19,21,24,25).
What are the key properties of N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 348.45 g/mol, XLogP of 0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 56893684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).