2-[4-(4-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid

C15H21N3O5 — CID 19502953

IUPAC2-[4-(4-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid
SMILESCCOC(=O)C1CCN(C(=O)c2cnn(C(C)C(=O)O)c2)CC1
InChIInChI=1S/C15H21N3O5/c1-3-23-15(22)11-4-6-17(7-5-11)13(19)12-8-16-18(9-12)10(2)14(20)21/h8-11H,3-7H2,1-2H3,(H,20,21)
InChIKeyRVFAGKODBWNCCU-UHFFFAOYSA-N
MW323.35 g/mol
LogP0.94
Rot. Bonds5

About 2-[4-(4-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid

2-[4-(4-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid (PubChem CID 19502953) has the molecular formula C15H21N3O5 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-[4-(4-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(4-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid
PubChem CID19502953
Molecular FormulaC15H21N3O5
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC Name2-[4-(4-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid
SMILESCCOC(=O)C1CCN(C(=O)c2cnn(C(C)C(=O)O)c2)CC1
InChIInChI=1S/C15H21N3O5/c1-3-23-15(22)11-4-6-17(7-5-11)13(19)12-8-16-18(9-12)10(2)14(20)21/h8-11H,3-7H2,1-2H3,(H,20,21)
InChIKeyRVFAGKODBWNCCU-UHFFFAOYSA-N
XLogP0.94
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(2-methylpyrimidine-5-carbonyl)piperidine-4-carboxylate
CID 155405233
ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate
CID 2303084
ethyl 1-(3-methyl-4-propan-2-yloxybenzoyl)piperidine-4-carboxylate
CID 110762331
ethyl 1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carboxylate
CID 35763507
ethyl 1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)piperidine-4-carboxylate
CID 86998647
ethyl 1-(3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl)piperidine-4-carboxylate
CID 44783014
ethyl 1-[4-(chloromethyl)benzoyl]piperidine-4-carboxylate
CID 43333531
2-(4-carbamoylpyrazol-1-yl)propanoic acid
CID 19623315
ethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]piperidine-4-carboxylate
CID 61118509
ethyl 1-[3-(difluoromethoxy)benzoyl]piperidine-4-carboxylate
CID 51072598
ethyl 1-(2-piperidin-1-ylpyridine-4-carbonyl)piperidine-4-carboxylate
CID 84573349
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[4-(4-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid (CID 19502953) is 2-[4-(4-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(4-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(4-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid is CCOC(=O)C1CCN(C(=O)c2cnn(C(C)C(=O)O)c2)CC1.
What is the InChIKey of 2-[4-(4-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid?
The InChIKey is RVFAGKODBWNCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5/c1-3-23-15(22)11-4-6-17(7-5-11)13(19)12-8-16-18(9-12)10(2)14(20)21/h8-11H,3-7H2,1-2H3,(H,20,21).
What are the key properties of 2-[4-(4-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid?
2-[4-(4-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid has a molecular weight of 323.35 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19502953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).