N-[4-(methoxymethyl)-1-[2-(5-methyl-2-methylsulfanyl-6-oxo-4,5-dihydropyrimidin-3-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide

C24H36N4O3S — CID 19772560

IUPACN-[4-(methoxymethyl)-1-[2-(5-methyl-2-methylsulfanyl-6-oxo-4,5-dihydropyrimidin-3-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(COC)CCN(CCN2CC(C)C(=O)N=C2SC)CC1
InChIInChI=1S/C24H36N4O3S/c1-5-21(29)28(20-9-7-6-8-10-20)24(18-31-3)11-13-26(14-12-24)15-16-27-17-19(2)22(30)25-23(27)32-4/h6-10,19H,5,11-18H2,1-4H3
InChIKeyUBBVPWXRDXTTEO-UHFFFAOYSA-N
MW460.64 g/mol
LogP3.11
Rot. Bonds8

About N-[4-(methoxymethyl)-1-[2-(5-methyl-2-methylsulfanyl-6-oxo-4,5-dihydropyrimidin-3-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide

N-[4-(methoxymethyl)-1-[2-(5-methyl-2-methylsulfanyl-6-oxo-4,5-dihydropyrimidin-3-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide (PubChem CID 19772560) has the molecular formula C24H36N4O3S and a molecular weight of 460.64 g/mol. Its IUPAC name is N-[4-(methoxymethyl)-1-[2-(5-methyl-2-methylsulfanyl-6-oxo-4,5-dihydropyrimidin-3-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[4-(methoxymethyl)-1-[2-(5-methyl-2-methylsulfanyl-6-oxo-4,5-dihydropyrimidin-3-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide
PubChem CID19772560
Molecular FormulaC24H36N4O3S
Molecular Weight460.64 g/mol
Exact Mass460.25
IUPAC NameN-[4-(methoxymethyl)-1-[2-(5-methyl-2-methylsulfanyl-6-oxo-4,5-dihydropyrimidin-3-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(COC)CCN(CCN2CC(C)C(=O)N=C2SC)CC1
InChIInChI=1S/C24H36N4O3S/c1-5-21(29)28(20-9-7-6-8-10-20)24(18-31-3)11-13-26(14-12-24)15-16-27-17-19(2)22(30)25-23(27)32-4/h6-10,19H,5,11-18H2,1-4H3
InChIKeyUBBVPWXRDXTTEO-UHFFFAOYSA-N
XLogP3.11
TPSA65.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.64
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(methoxymethyl)-1-[2-(5-methyl-2-methylsulfanyl-6-oxo-4,5-dihydropyrimidin-3-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[4-(methoxymethyl)-1-[2-(5-methyl-2-methylsulfanyl-6-oxo-4,5-dihydropyrimidin-3-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide (CID 19772560) is N-[4-(methoxymethyl)-1-[2-(5-methyl-2-methylsulfanyl-6-oxo-4,5-dihydropyrimidin-3-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[4-(methoxymethyl)-1-[2-(5-methyl-2-methylsulfanyl-6-oxo-4,5-dihydropyrimidin-3-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[4-(methoxymethyl)-1-[2-(5-methyl-2-methylsulfanyl-6-oxo-4,5-dihydropyrimidin-3-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1(COC)CCN(CCN2CC(C)C(=O)N=C2SC)CC1.
What is the InChIKey of N-[4-(methoxymethyl)-1-[2-(5-methyl-2-methylsulfanyl-6-oxo-4,5-dihydropyrimidin-3-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is UBBVPWXRDXTTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O3S/c1-5-21(29)28(20-9-7-6-8-10-20)24(18-31-3)11-13-26(14-12-24)15-16-27-17-19(2)22(30)25-23(27)32-4/h6-10,19H,5,11-18H2,1-4H3.
What are the key properties of N-[4-(methoxymethyl)-1-[2-(5-methyl-2-methylsulfanyl-6-oxo-4,5-dihydropyrimidin-3-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide?
N-[4-(methoxymethyl)-1-[2-(5-methyl-2-methylsulfanyl-6-oxo-4,5-dihydropyrimidin-3-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 460.64 g/mol, XLogP of 3.11, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methoxymethyl)-1-[2-(5-methyl-2-methylsulfanyl-6-oxo-4,5-dihydropyrimidin-3-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 19772560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).