N-(3-ethoxypropyl)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide

C19H28N4O3S — CID 42960012

IUPACN-(3-ethoxypropyl)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(Cc2cc(=O)n3c(C)csc3n2)CC1
InChIInChI=1S/C19H28N4O3S/c1-3-26-10-4-7-20-18(25)15-5-8-22(9-6-15)12-16-11-17(24)23-14(2)13-27-19(23)21-16/h11,13,15H,3-10,12H2,1-2H3,(H,20,25)
InChIKeyQWHSWSYQYXCDPO-UHFFFAOYSA-N
MW392.53 g/mol
LogP1.82
Rot. Bonds8

About N-(3-ethoxypropyl)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide

N-(3-ethoxypropyl)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide (PubChem CID 42960012) has the molecular formula C19H28N4O3S and a molecular weight of 392.53 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide
PubChem CID42960012
Molecular FormulaC19H28N4O3S
Molecular Weight392.53 g/mol
Exact Mass392.19
IUPAC NameN-(3-ethoxypropyl)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(Cc2cc(=O)n3c(C)csc3n2)CC1
InChIInChI=1S/C19H28N4O3S/c1-3-26-10-4-7-20-18(25)15-5-8-22(9-6-15)12-16-11-17(24)23-14(2)13-27-19(23)21-16/h11,13,15H,3-10,12H2,1-2H3,(H,20,25)
InChIKeyQWHSWSYQYXCDPO-UHFFFAOYSA-N
XLogP1.82
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-{7-Methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-2-YL}-N-[3-(propan-2-yloxy)propyl]piperidine-4-carboxamide
CID 16012128
1-{[(4-Hydroxy-6-methylpyrimidin-2-yl)sulfanyl]acetyl}piperidine-4-carboxamide
CID 135413620
1-[(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide
CID 2419350
1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 47025137
N-[2-(diethylamino)ethyl]-1-{7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}piperidine-4-carboxamide
CID 20892955
1-{7-Methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-2-YL}-N-(3-methylbutyl)piperidine-4-carboxamide
CID 20892957
N-(3-Ethoxypropyl)-1-{7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-2-YL}piperidine-4-carboxamide
CID 20892966
N-(3-Methoxypropyl)-1-{7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-2-YL}piperidine-4-carboxamide
CID 20892967
1-{7-Methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-2-YL}-N-[2-(morpholin-4-YL)ethyl]piperidine-4-carboxamide
CID 20892968
N-(3-Ethoxypropyl)-1-{5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-2-YL}piperidine-4-carboxamide
CID 20893364
N-(3-Methoxypropyl)-1-{5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-2-YL}piperidine-4-carboxamide
CID 20893367
N-tert-butyl-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide
CID 47055648

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide (CID 42960012) is N-(3-ethoxypropyl)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide is CCOCCCNC(=O)C1CCN(Cc2cc(=O)n3c(C)csc3n2)CC1.
What is the InChIKey of N-(3-ethoxypropyl)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide?
The InChIKey is QWHSWSYQYXCDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3S/c1-3-26-10-4-7-20-18(25)15-5-8-22(9-6-15)12-16-11-17(24)23-14(2)13-27-19(23)21-16/h11,13,15H,3-10,12H2,1-2H3,(H,20,25).
What are the key properties of N-(3-ethoxypropyl)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide?
N-(3-ethoxypropyl)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide has a molecular weight of 392.53 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 42960012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).