3-(2-methoxyethyl)-1-[4-(1H-pyrazol-4-yl)butanoyl]piperidine-3-carboxylic acid

C16H25N3O4 — CID 72915565

IUPAC3-(2-methoxyethyl)-1-[4-(1H-pyrazol-4-yl)butanoyl]piperidine-3-carboxylic acid
SMILESCOCCC1(C(=O)O)CCCN(C(=O)CCCc2cn[nH]c2)C1
InChIInChI=1S/C16H25N3O4/c1-23-9-7-16(15(21)22)6-3-8-19(12-16)14(20)5-2-4-13-10-17-18-11-13/h10-11H,2-9,12H2,1H3,(H,17,18)(H,21,22)
InChIKeyCULRFTMZVRPKIJ-UHFFFAOYSA-N
MW323.39 g/mol
LogP1.46
Rot. Bonds8

About 3-(2-methoxyethyl)-1-[4-(1H-pyrazol-4-yl)butanoyl]piperidine-3-carboxylic acid

3-(2-methoxyethyl)-1-[4-(1H-pyrazol-4-yl)butanoyl]piperidine-3-carboxylic acid (PubChem CID 72915565) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-1-[4-(1H-pyrazol-4-yl)butanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(2-methoxyethyl)-1-[4-(1H-pyrazol-4-yl)butanoyl]piperidine-3-carboxylic acid
PubChem CID72915565
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name3-(2-methoxyethyl)-1-[4-(1H-pyrazol-4-yl)butanoyl]piperidine-3-carboxylic acid
SMILESCOCCC1(C(=O)O)CCCN(C(=O)CCCc2cn[nH]c2)C1
InChIInChI=1S/C16H25N3O4/c1-23-9-7-16(15(21)22)6-3-8-19(12-16)14(20)5-2-4-13-10-17-18-11-13/h10-11H,2-9,12H2,1H3,(H,17,18)(H,21,22)
InChIKeyCULRFTMZVRPKIJ-UHFFFAOYSA-N
XLogP1.46
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(3-methoxypropyl)-1-[3-(2-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 97126186
3-(3-methoxypropyl)-1-[3-(2-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 72876430
1-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 155991595
(3S)-3-(3-methoxypropyl)-1-(4,4,4-trifluorobutanoyl)piperidine-3-carboxylic acid
CID 97128216
1-[4-(dimethylamino)azepan-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 56908749
1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 72926896
1-[2-(3,4-difluorophenyl)acetyl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 72894002
7-cyclohexyl-2-[4-(1H-pyrazol-4-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72898128
1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 86283168
(3S)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 97117341
3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
CID 72881029
1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 56872537

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-1-[4-(1H-pyrazol-4-yl)butanoyl]piperidine-3-carboxylic acid?
The IUPAC name of 3-(2-methoxyethyl)-1-[4-(1H-pyrazol-4-yl)butanoyl]piperidine-3-carboxylic acid (CID 72915565) is 3-(2-methoxyethyl)-1-[4-(1H-pyrazol-4-yl)butanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-(2-methoxyethyl)-1-[4-(1H-pyrazol-4-yl)butanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-(2-methoxyethyl)-1-[4-(1H-pyrazol-4-yl)butanoyl]piperidine-3-carboxylic acid is COCCC1(C(=O)O)CCCN(C(=O)CCCc2cn[nH]c2)C1.
What is the InChIKey of 3-(2-methoxyethyl)-1-[4-(1H-pyrazol-4-yl)butanoyl]piperidine-3-carboxylic acid?
The InChIKey is CULRFTMZVRPKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-23-9-7-16(15(21)22)6-3-8-19(12-16)14(20)5-2-4-13-10-17-18-11-13/h10-11H,2-9,12H2,1H3,(H,17,18)(H,21,22).
What are the key properties of 3-(2-methoxyethyl)-1-[4-(1H-pyrazol-4-yl)butanoyl]piperidine-3-carboxylic acid?
3-(2-methoxyethyl)-1-[4-(1H-pyrazol-4-yl)butanoyl]piperidine-3-carboxylic acid has a molecular weight of 323.39 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-1-[4-(1H-pyrazol-4-yl)butanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 72915565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).