N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide

C15H22N4O3 — CID 136663717

IUPACN-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
SMILESCc1cc(=O)[nH]c(CNC(=O)CCCN2CCCCC2=O)n1
InChIInChI=1S/C15H22N4O3/c1-11-9-14(21)18-12(17-11)10-16-13(20)5-4-8-19-7-3-2-6-15(19)22/h9H,2-8,10H2,1H3,(H,16,20)(H,17,18,21)
InChIKeyRZWKJOWIKVOOHK-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.49
Rot. Bonds6

About N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide

N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide (PubChem CID 136663717) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
PubChem CID136663717
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
SMILESCc1cc(=O)[nH]c(CNC(=O)CCCN2CCCCC2=O)n1
InChIInChI=1S/C15H22N4O3/c1-11-9-14(21)18-12(17-11)10-16-13(20)5-4-8-19-7-3-2-6-15(19)22/h9H,2-8,10H2,1H3,(H,16,20)(H,17,18,21)
InChIKeyRZWKJOWIKVOOHK-UHFFFAOYSA-N
XLogP0.49
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-6-(piperidinomethyl)-4-pyrimidinol
CID 135472863
N-[(6-hydroxy-4-pyrimidinyl)methyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 136217050
N-[(6-hydroxy-4-pyrimidinyl)methyl]-2-(1-propyl-4-piperidinyl)acetamide
CID 136217117
1-cyclopentyl-N-[(6-hydroxy-2-methyl-4-pyrimidinyl)methyl]-3-piperidinecarboxamide
CID 136216795
N~1~-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)ethyl]-L-norvalinamide
CID 136664961
3-(2,4-Dimethyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione
CID 134488797
2,6-Dimethyl-3-(6-methylidene-2-oxopiperidin-3-yl)pyrimidin-4-one
CID 163428851
2-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 168723193
2-[[Methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 168723228
N-[3-(dimethylamino)propyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide
CID 12339737
2,6-Dimethyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one
CID 55261962
2-[[(2-Oxopiperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62670897

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide?
The IUPAC name of N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide (CID 136663717) is N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide.
What is the SMILES notation for N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide?
The canonical SMILES for N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide is Cc1cc(=O)[nH]c(CNC(=O)CCCN2CCCCC2=O)n1.
What is the InChIKey of N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide?
The InChIKey is RZWKJOWIKVOOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-11-9-14(21)18-12(17-11)10-16-13(20)5-4-8-19-7-3-2-6-15(19)22/h9H,2-8,10H2,1H3,(H,16,20)(H,17,18,21).
What are the key properties of N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide?
N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide has a molecular weight of 306.37 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide is sourced from PubChem (CID 136663717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).