5-[(3S)-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

C14H21N3O4 — CID 97153305

IUPAC5-[(3S)-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCCC[C@]1(CO)CCCN(C(=O)c2c[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C14H21N3O4/c1-2-4-14(9-18)5-3-6-17(8-14)12(20)10-7-15-13(21)16-11(10)19/h7,18H,2-6,8-9H2,1H3,(H2,15,16,19,21)/t14-/m0/s1
InChIKeyDDJNRJIZOGFGFI-AWEZNQCLSA-N
MW295.34 g/mol
LogP0.08
Rot. Bonds4

About 5-[(3S)-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

5-[(3S)-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 97153305) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-[(3S)-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(3S)-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID97153305
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name5-[(3S)-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCCC[C@]1(CO)CCCN(C(=O)c2c[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C14H21N3O4/c1-2-4-14(9-18)5-3-6-17(8-14)12(20)10-7-15-13(21)16-11(10)19/h7,18H,2-6,8-9H2,1H3,(H2,15,16,19,21)/t14-/m0/s1
InChIKeyDDJNRJIZOGFGFI-AWEZNQCLSA-N
XLogP0.08
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 70743043
(2,3-difluoro-4-methoxyphenyl)-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone
CID 70742601
(3S)-1-(1-methyl-2,4-dioxopyrimidine-5-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 97131360
1-[3-[(3R)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 97110704
3-[(3S)-3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 97139078
[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone
CID 97120712
1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145257
3-[(3R)-3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 97133437
5-[4-(2-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 70788614
3-[3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 70748709
ethyl (3S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-3-carboxylate
CID 115535610
[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone
CID 97155764

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(3S)-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 97153305) is 5-[(3S)-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(3S)-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(3S)-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is CCC[C@]1(CO)CCCN(C(=O)c2c[nH]c(=O)[nH]c2=O)C1.
What is the InChIKey of 5-[(3S)-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is DDJNRJIZOGFGFI-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-2-4-14(9-18)5-3-6-17(8-14)12(20)10-7-15-13(21)16-11(10)19/h7,18H,2-6,8-9H2,1H3,(H2,15,16,19,21)/t14-/m0/s1.
What are the key properties of 5-[(3S)-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
5-[(3S)-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 295.34 g/mol, XLogP of 0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 97153305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).