2-(4-acetylpiperidin-1-yl)-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide

C17H24N4O4 — CID 137147831

IUPAC2-(4-acetylpiperidin-1-yl)-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
SMILESCC(=O)C1CCN(CC(=O)NCc2nc3c(c(=O)[nH]2)COCC3)CC1
InChIInChI=1S/C17H24N4O4/c1-11(22)12-2-5-21(6-3-12)9-16(23)18-8-15-19-14-4-7-25-10-13(14)17(24)20-15/h12H,2-10H2,1H3,(H,18,23)(H,19,20,24)
InChIKeyFDVWMPNFPCKENB-UHFFFAOYSA-N
MW348.40 g/mol
LogP-0.24
Rot. Bonds5

About 2-(4-acetylpiperidin-1-yl)-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide

2-(4-acetylpiperidin-1-yl)-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide (PubChem CID 137147831) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-(4-acetylpiperidin-1-yl)-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-acetylpiperidin-1-yl)-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
PubChem CID137147831
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name2-(4-acetylpiperidin-1-yl)-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
SMILESCC(=O)C1CCN(CC(=O)NCc2nc3c(c(=O)[nH]2)COCC3)CC1
InChIInChI=1S/C17H24N4O4/c1-11(22)12-2-5-21(6-3-12)9-16(23)18-8-15-19-14-4-7-25-10-13(14)17(24)20-15/h12H,2-10H2,1H3,(H,18,23)(H,19,20,24)
InChIKeyFDVWMPNFPCKENB-UHFFFAOYSA-N
XLogP-0.24
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(4-acetylpiperidin-1-yl)-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-Oxo-2-((4-oxo-4,5,7,8-tetrahydro-3H-pyrano[4,3-d]pyrimidin-2-yl)methylamino)ethyl)piperidine-4-carboxylic acid
CID 136627188
Methyl 1-(2-oxo-2-((4-oxo-4,5,7,8-tetrahydro-3H-pyrano[4,3-d]pyrimidin-2-yl)methylamino)ethyl)piperidine-4-carboxylate
CID 136627229
2-[4-[(2E)-2-[(Z)-3-(cyclopropylmethoxy)prop-1-enyl]penta-2,4-dienoyl]piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
CID 136964669
2-[4-(1-hydroxyethenyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
CID 144512998
N-(cyclopropylmethyl)-2-[4-[(Z)-2-methyliminohex-3-enoyl]piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
CID 144513002
N-(cyclopropylmethyl)-2-[4-(4-methoxycyclohepta-1,3,6-triene-1-carbonyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
CID 146259942
1-[2-Oxo-4-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)butyl]piperidine-4-carboxylic acid
CID 157895464
Methyl 1-[2-oxo-4-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)butyl]piperidine-4-carboxylate
CID 161179487
2-Piperidin-4-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136671948
2-(1-Piperazin-1-ylbutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696509
2-[1-(3-Methoxypropanoyl)piperidin-4-yl]-7-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136795566
2-[1-(3-Methoxypropanoyl)piperidin-4-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136795598

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperidin-1-yl)-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-acetylpiperidin-1-yl)-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide (CID 137147831) is 2-(4-acetylpiperidin-1-yl)-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-acetylpiperidin-1-yl)-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-acetylpiperidin-1-yl)-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide is CC(=O)C1CCN(CC(=O)NCc2nc3c(c(=O)[nH]2)COCC3)CC1.
What is the InChIKey of 2-(4-acetylpiperidin-1-yl)-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide?
The InChIKey is FDVWMPNFPCKENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-11(22)12-2-5-21(6-3-12)9-16(23)18-8-15-19-14-4-7-25-10-13(14)17(24)20-15/h12H,2-10H2,1H3,(H,18,23)(H,19,20,24).
What are the key properties of 2-(4-acetylpiperidin-1-yl)-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide?
2-(4-acetylpiperidin-1-yl)-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide has a molecular weight of 348.40 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperidin-1-yl)-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide is sourced from PubChem (CID 137147831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).