1-[(3R,4R)-1-(4-aminobutanoyl)-4-hydroxy-4-methylpiperidin-3-yl]-5-methylpyrimidine-2,4-dione

C15H24N4O4 — CID 175661587

IUPAC1-[(3R,4R)-1-(4-aminobutanoyl)-4-hydroxy-4-methylpiperidin-3-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@@H]2CN(C(=O)CCCN)CC[C@@]2(C)O)c(=O)[nH]c1=O
InChIInChI=1S/C15H24N4O4/c1-10-8-19(14(22)17-13(10)21)11-9-18(7-5-15(11,2)23)12(20)4-3-6-16/h8,11,23H,3-7,9,16H2,1-2H3,(H,17,21,22)/t11-,15-/m1/s1
InChIKeyPBOATXKGBWGHPQ-IAQYHMDHSA-N
MW324.38 g/mol
LogP-0.89
Rot. Bonds4

About 1-[(3R,4R)-1-(4-aminobutanoyl)-4-hydroxy-4-methylpiperidin-3-yl]-5-methylpyrimidine-2,4-dione

1-[(3R,4R)-1-(4-aminobutanoyl)-4-hydroxy-4-methylpiperidin-3-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 175661587) has the molecular formula C15H24N4O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[(3R,4R)-1-(4-aminobutanoyl)-4-hydroxy-4-methylpiperidin-3-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(3R,4R)-1-(4-aminobutanoyl)-4-hydroxy-4-methylpiperidin-3-yl]-5-methylpyrimidine-2,4-dione
PubChem CID175661587
Molecular FormulaC15H24N4O4
Molecular Weight324.38 g/mol
Exact Mass324.18
IUPAC Name1-[(3R,4R)-1-(4-aminobutanoyl)-4-hydroxy-4-methylpiperidin-3-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@@H]2CN(C(=O)CCCN)CC[C@@]2(C)O)c(=O)[nH]c1=O
InChIInChI=1S/C15H24N4O4/c1-10-8-19(14(22)17-13(10)21)11-9-18(7-5-15(11,2)23)12(20)4-3-6-16/h8,11,23H,3-7,9,16H2,1-2H3,(H,17,21,22)/t11-,15-/m1/s1
InChIKeyPBOATXKGBWGHPQ-IAQYHMDHSA-N
XLogP-0.89
TPSA121.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3R,4R)-4-hydroxy-4-methyl-1-[4-(2-methylbenzimidazol-1-yl)butanoyl]piperidin-3-yl]-5-methylpyrimidine-2,4-dione
CID 110163601
1-[(3S,4S,6R)-4,6-dihydroxy-4-methyl-1-[4-(2-propan-2-ylbenzimidazol-1-yl)butanoyl]azepan-3-yl]-5-methylpyrimidine-2,4-dione
CID 110163048
2-[2-[(3S,4S)-4-hydroxy-4-methyl-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-oxoethoxy]acetic acid
CID 110158235
1-[(3S,4S,6R)-1-[3-(benzimidazol-1-yl)propanoyl]-4,6-dihydroxy-4-methylazepan-3-yl]-5-methylpyrimidine-2,4-dione
CID 110163042
1-[(3S,4S)-3-hydroxy-3-methylpiperidin-4-yl]-5-methylpyrimidine-2,4-dione
CID 110144769
N-[(2S)-6-amino-1-[(3R,4R)-3-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-4-methylpiperidin-1-yl]-1-oxohexan-2-yl]acetamide
CID 110154493
1-[(3S,4S,6R)-1-[3-(1-ethylbenzimidazol-2-yl)propanoyl]-4,6-dihydroxy-4-methylazepan-3-yl]-5-methylpyrimidine-2,4-dione
CID 110163054
5-bromo-1-[(3S,4S)-9-[(2R)-2,6-diaminohexanoyl]-4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-3-yl]pyrimidine-2,4-dione
CID 110154201
1-[(3R,4R)-1-[3-(2-amino-4,6-dimethylpyrimidin-5-yl)propanoyl]-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione
CID 110160389
1-[(5S)-5-(hydroxymethyl)-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 169190454
1-[(3S,4S,6R)-4,6-dihydroxy-4-methyl-1-[2-(trifluoromethyl)-3H-benzimidazole-5-carbonyl]azepan-3-yl]-5-methylpyrimidine-2,4-dione
CID 110163050
1-[(2R,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 90673981

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-1-(4-aminobutanoyl)-4-hydroxy-4-methylpiperidin-3-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(3R,4R)-1-(4-aminobutanoyl)-4-hydroxy-4-methylpiperidin-3-yl]-5-methylpyrimidine-2,4-dione (CID 175661587) is 1-[(3R,4R)-1-(4-aminobutanoyl)-4-hydroxy-4-methylpiperidin-3-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(3R,4R)-1-(4-aminobutanoyl)-4-hydroxy-4-methylpiperidin-3-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(3R,4R)-1-(4-aminobutanoyl)-4-hydroxy-4-methylpiperidin-3-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@@H]2CN(C(=O)CCCN)CC[C@@]2(C)O)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(3R,4R)-1-(4-aminobutanoyl)-4-hydroxy-4-methylpiperidin-3-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is PBOATXKGBWGHPQ-IAQYHMDHSA-N. The full InChI is InChI=1S/C15H24N4O4/c1-10-8-19(14(22)17-13(10)21)11-9-18(7-5-15(11,2)23)12(20)4-3-6-16/h8,11,23H,3-7,9,16H2,1-2H3,(H,17,21,22)/t11-,15-/m1/s1.
What are the key properties of 1-[(3R,4R)-1-(4-aminobutanoyl)-4-hydroxy-4-methylpiperidin-3-yl]-5-methylpyrimidine-2,4-dione?
1-[(3R,4R)-1-(4-aminobutanoyl)-4-hydroxy-4-methylpiperidin-3-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 324.38 g/mol, XLogP of -0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-1-(4-aminobutanoyl)-4-hydroxy-4-methylpiperidin-3-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 175661587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).