N-(1-cycloheptylpiperidin-3-yl)-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

C19H30N4O3 — CID 56887264

IUPACN-(1-cycloheptylpiperidin-3-yl)-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)NC1CCCN(C2CCCCCC2)C1
InChIInChI=1S/C19H30N4O3/c1-13-16(18(25)22-19(26)20-13)11-17(24)21-14-7-6-10-23(12-14)15-8-4-2-3-5-9-15/h14-15H,2-12H2,1H3,(H,21,24)(H2,20,22,25,26)
InChIKeyBXHDBRMXMHVOMX-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.22
Rot. Bonds4

About N-(1-cycloheptylpiperidin-3-yl)-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

N-(1-cycloheptylpiperidin-3-yl)-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 56887264) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-(1-cycloheptylpiperidin-3-yl)-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(1-cycloheptylpiperidin-3-yl)-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
PubChem CID56887264
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC NameN-(1-cycloheptylpiperidin-3-yl)-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)NC1CCCN(C2CCCCCC2)C1
InChIInChI=1S/C19H30N4O3/c1-13-16(18(25)22-19(26)20-13)11-17(24)21-14-7-6-10-23(12-14)15-8-4-2-3-5-9-15/h14-15H,2-12H2,1H3,(H,21,24)(H2,20,22,25,26)
InChIKeyBXHDBRMXMHVOMX-UHFFFAOYSA-N
XLogP1.22
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cycloheptylpiperidin-3-yl)-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-(1-cycloheptylpiperidin-3-yl)-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (CID 56887264) is N-(1-cycloheptylpiperidin-3-yl)-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(1-cycloheptylpiperidin-3-yl)-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-(1-cycloheptylpiperidin-3-yl)-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NC1CCCN(C2CCCCCC2)C1.
What is the InChIKey of N-(1-cycloheptylpiperidin-3-yl)-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is BXHDBRMXMHVOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-13-16(18(25)22-19(26)20-13)11-17(24)21-14-7-6-10-23(12-14)15-8-4-2-3-5-9-15/h14-15H,2-12H2,1H3,(H,21,24)(H2,20,22,25,26).
What are the key properties of N-(1-cycloheptylpiperidin-3-yl)-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
N-(1-cycloheptylpiperidin-3-yl)-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 362.47 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cycloheptylpiperidin-3-yl)-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 56887264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).