2-[1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidin-4-yl]acetic acid

C14H21N3O3 — CID 119178287

IUPAC2-[1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidin-4-yl]acetic acid
SMILESCn1cc(CCC(=O)N2CCC(CC(=O)O)CC2)cn1
InChIInChI=1S/C14H21N3O3/c1-16-10-12(9-15-16)2-3-13(18)17-6-4-11(5-7-17)8-14(19)20/h9-11H,2-8H2,1H3,(H,19,20)
InChIKeyZIRRZLFHKQUNTN-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.07
Rot. Bonds5

About 2-[1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidin-4-yl]acetic acid

2-[1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidin-4-yl]acetic acid (PubChem CID 119178287) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidin-4-yl]acetic acid
PubChem CID119178287
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidin-4-yl]acetic acid
SMILESCn1cc(CCC(=O)N2CCC(CC(=O)O)CC2)cn1
InChIInChI=1S/C14H21N3O3/c1-16-10-12(9-15-16)2-3-13(18)17-6-4-11(5-7-17)8-14(19)20/h9-11H,2-8H2,1H3,(H,19,20)
InChIKeyZIRRZLFHKQUNTN-UHFFFAOYSA-N
XLogP1.07
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4S)-1-[2-(1-methylpyrazol-4-yl)acetyl]azepan-4-yl]acetic acid
CID 129489196
1-[4-(methylamino)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 175658528
1-[4-(dimethylamino)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 156840377
2-[8-[2-(1-methylpyrazol-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 103004897
1-[4-(2-methylpropyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 60528022
1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 124590081
2-[1-(3-naphthalen-2-ylpropanoyl)piperidin-4-yl]acetic acid
CID 119178286
1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 70781021
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 47062111
1-(3-amino-4-cyclopropylpyrrolidin-1-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 156603109
1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 95340534
2-[1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]acetic acid
CID 119178646

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidin-4-yl]acetic acid (CID 119178287) is 2-[1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidin-4-yl]acetic acid is Cn1cc(CCC(=O)N2CCC(CC(=O)O)CC2)cn1.
What is the InChIKey of 2-[1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidin-4-yl]acetic acid?
The InChIKey is ZIRRZLFHKQUNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-16-10-12(9-15-16)2-3-13(18)17-6-4-11(5-7-17)8-14(19)20/h9-11H,2-8H2,1H3,(H,19,20).
What are the key properties of 2-[1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidin-4-yl]acetic acid?
2-[1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidin-4-yl]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 119178287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).