(3R)-1-(cyclohexylmethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-6-oxopiperidine-3-carboxamide

C19H28N4O4 — CID 97143168

IUPAC(3R)-1-(cyclohexylmethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCCc1c[nH]c(=O)[nH]c1=O)[C@@H]1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C19H28N4O4/c24-16-7-6-15(12-23(16)11-13-4-2-1-3-5-13)17(25)20-9-8-14-10-21-19(27)22-18(14)26/h10,13,15H,1-9,11-12H2,(H,20,25)(H2,21,22,26,27)/t15-/m1/s1
InChIKeyRRBPJOKWJYHXCG-OAHLLOKOSA-N
MW376.46 g/mol
LogP0.54
Rot. Bonds6

About (3R)-1-(cyclohexylmethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-6-oxopiperidine-3-carboxamide

(3R)-1-(cyclohexylmethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 97143168) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is (3R)-1-(cyclohexylmethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(cyclohexylmethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-6-oxopiperidine-3-carboxamide
PubChem CID97143168
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Name(3R)-1-(cyclohexylmethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCCc1c[nH]c(=O)[nH]c1=O)[C@@H]1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C19H28N4O4/c24-16-7-6-15(12-23(16)11-13-4-2-1-3-5-13)17(25)20-9-8-14-10-21-19(27)22-18(14)26/h10,13,15H,1-9,11-12H2,(H,20,25)(H2,21,22,26,27)/t15-/m1/s1
InChIKeyRRBPJOKWJYHXCG-OAHLLOKOSA-N
XLogP0.54
TPSA115.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(cyclohexylmethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3R)-1-(cyclohexylmethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-6-oxopiperidine-3-carboxamide (CID 97143168) is (3R)-1-(cyclohexylmethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(cyclohexylmethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(cyclohexylmethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-6-oxopiperidine-3-carboxamide is O=C(NCCc1c[nH]c(=O)[nH]c1=O)[C@@H]1CCC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of (3R)-1-(cyclohexylmethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is RRBPJOKWJYHXCG-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H28N4O4/c24-16-7-6-15(12-23(16)11-13-4-2-1-3-5-13)17(25)20-9-8-14-10-21-19(27)22-18(14)26/h10,13,15H,1-9,11-12H2,(H,20,25)(H2,21,22,26,27)/t15-/m1/s1.
What are the key properties of (3R)-1-(cyclohexylmethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-6-oxopiperidine-3-carboxamide?
(3R)-1-(cyclohexylmethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(cyclohexylmethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 97143168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).