(3S)-1-(1-methyl-2,4-dioxopyrimidine-5-carbonyl)-3-propylpiperidine-3-carboxylic acid

C15H21N3O5 — CID 97131360

IUPAC(3S)-1-(1-methyl-2,4-dioxopyrimidine-5-carbonyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCC[C@]1(C(=O)O)CCCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1
InChIInChI=1S/C15H21N3O5/c1-3-5-15(13(21)22)6-4-7-18(9-15)12(20)10-8-17(2)14(23)16-11(10)19/h8H,3-7,9H2,1-2H3,(H,21,22)(H,16,19,23)/t15-/m0/s1
InChIKeySATJQEIRILKVOU-HNNXBMFYSA-N
MW323.35 g/mol
LogP0.18
Rot. Bonds4

About (3S)-1-(1-methyl-2,4-dioxopyrimidine-5-carbonyl)-3-propylpiperidine-3-carboxylic acid

(3S)-1-(1-methyl-2,4-dioxopyrimidine-5-carbonyl)-3-propylpiperidine-3-carboxylic acid (PubChem CID 97131360) has the molecular formula C15H21N3O5 and a molecular weight of 323.35 g/mol. Its IUPAC name is (3S)-1-(1-methyl-2,4-dioxopyrimidine-5-carbonyl)-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(1-methyl-2,4-dioxopyrimidine-5-carbonyl)-3-propylpiperidine-3-carboxylic acid
PubChem CID97131360
Molecular FormulaC15H21N3O5
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC Name(3S)-1-(1-methyl-2,4-dioxopyrimidine-5-carbonyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCC[C@]1(C(=O)O)CCCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1
InChIInChI=1S/C15H21N3O5/c1-3-5-15(13(21)22)6-4-7-18(9-15)12(20)10-8-17(2)14(23)16-11(10)19/h8H,3-7,9H2,1-2H3,(H,21,22)(H,16,19,23)/t15-/m0/s1
InChIKeySATJQEIRILKVOU-HNNXBMFYSA-N
XLogP0.18
TPSA112.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethylthiophene-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63138048
1-(1,5-dimethylpyrazole-4-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63134677
1-(2-bromobenzoyl)-3-propylpiperidine-3-carboxylic acid
CID 63134142
1-(2-chlorofuran-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 106683454
(3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 95017533
3-propyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 63138175
1-acetyl-3-propylpiperidine-3-carboxylic acid
CID 63134362
1-(furan-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63134146
5-[(3S)-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 97153305
(3R)-1-[4-(2,4-dioxoimidazolidin-1-yl)benzoyl]-3-propylpiperidine-3-carboxylic acid
CID 97119960
1-(5-hydroxypyridine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63850654
1-(piperazine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63136426

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1-methyl-2,4-dioxopyrimidine-5-carbonyl)-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(1-methyl-2,4-dioxopyrimidine-5-carbonyl)-3-propylpiperidine-3-carboxylic acid (CID 97131360) is (3S)-1-(1-methyl-2,4-dioxopyrimidine-5-carbonyl)-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(1-methyl-2,4-dioxopyrimidine-5-carbonyl)-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(1-methyl-2,4-dioxopyrimidine-5-carbonyl)-3-propylpiperidine-3-carboxylic acid is CCC[C@]1(C(=O)O)CCCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1.
What is the InChIKey of (3S)-1-(1-methyl-2,4-dioxopyrimidine-5-carbonyl)-3-propylpiperidine-3-carboxylic acid?
The InChIKey is SATJQEIRILKVOU-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21N3O5/c1-3-5-15(13(21)22)6-4-7-18(9-15)12(20)10-8-17(2)14(23)16-11(10)19/h8H,3-7,9H2,1-2H3,(H,21,22)(H,16,19,23)/t15-/m0/s1.
What are the key properties of (3S)-1-(1-methyl-2,4-dioxopyrimidine-5-carbonyl)-3-propylpiperidine-3-carboxylic acid?
(3S)-1-(1-methyl-2,4-dioxopyrimidine-5-carbonyl)-3-propylpiperidine-3-carboxylic acid has a molecular weight of 323.35 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1-methyl-2,4-dioxopyrimidine-5-carbonyl)-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 97131360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).