2-methyl-5-[2-oxo-2-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one

C18H28N4O2 — CID 70785403

IUPAC2-methyl-5-[2-oxo-2-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one
SMILESCc1ncc(CC(=O)N2CCC(C(C)N3CCCC3)CC2)c(=O)[nH]1
InChIInChI=1S/C18H28N4O2/c1-13(21-7-3-4-8-21)15-5-9-22(10-6-15)17(23)11-16-12-19-14(2)20-18(16)24/h12-13,15H,3-11H2,1-2H3,(H,19,20,24)
InChIKeyMDEPCRFXGXNIKB-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.34
Rot. Bonds4

About 2-methyl-5-[2-oxo-2-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one

2-methyl-5-[2-oxo-2-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one (PubChem CID 70785403) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-methyl-5-[2-oxo-2-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-5-[2-oxo-2-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one
PubChem CID70785403
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2-methyl-5-[2-oxo-2-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one
SMILESCc1ncc(CC(=O)N2CCC(C(C)N3CCCC3)CC2)c(=O)[nH]1
InChIInChI=1S/C18H28N4O2/c1-13(21-7-3-4-8-21)15-5-9-22(10-6-15)17(23)11-16-12-19-14(2)20-18(16)24/h12-13,15H,3-11H2,1-2H3,(H,19,20,24)
InChIKeyMDEPCRFXGXNIKB-UHFFFAOYSA-N
XLogP1.34
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-5-[2-oxo-2-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one 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

2-methyl-5-(2-oxo-2-{2-[2-(1-pyrrolidinyl)ethyl]-1-piperidinyl}ethyl)-4(3H)-pyrimidinone
CID 70711114
2-isopropyl-5-{[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]carbonyl}pyrimidin-4(3H)-one
CID 56872069
2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[5-[6-oxo-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-2-yl]pentyl]acetamide
CID 90841217
5-(2-oxo-2-piperidin-1-ylethyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 90925807
ethane;2-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-6-one
CID 143940516
2-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one
CID 143940576
tert-butyl 4-[3-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-1-yl]piperidine-1-carboxylate
CID 169148576
5-ethyl-2-(1-piperidin-4-ylpyrrolidin-3-yl)-1H-pyrimidin-6-one
CID 169149103
tert-butyl 4-[(3S)-3-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-1-yl]piperidine-1-carboxylate
CID 169764202
tert-butyl 4-[(3R)-3-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-1-yl]piperidine-1-carboxylate
CID 169764734
5-[2-(3,9-diazaspiro[5.5]undec-3-yl)-2-oxoethyl]-2-methyl-4(3H)-pyrimidinone hydrochloride
CID 56871392
2-methyl-5-{2-oxo-2-[4-(1-piperidinylcarbonyl)-1-piperidinyl]ethyl}-4(3H)-pyrimidinone
CID 56906487

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-oxo-2-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-5-[2-oxo-2-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one (CID 70785403) is 2-methyl-5-[2-oxo-2-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-5-[2-oxo-2-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-5-[2-oxo-2-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one is Cc1ncc(CC(=O)N2CCC(C(C)N3CCCC3)CC2)c(=O)[nH]1.
What is the InChIKey of 2-methyl-5-[2-oxo-2-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one?
The InChIKey is MDEPCRFXGXNIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13(21-7-3-4-8-21)15-5-9-22(10-6-15)17(23)11-16-12-19-14(2)20-18(16)24/h12-13,15H,3-11H2,1-2H3,(H,19,20,24).
What are the key properties of 2-methyl-5-[2-oxo-2-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one?
2-methyl-5-[2-oxo-2-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one has a molecular weight of 332.45 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-oxo-2-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 70785403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).