4-(3-tert-butylpyrazol-1-yl)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxylic acid

C18H26N4O3 — CID 56887803

IUPAC4-(3-tert-butylpyrazol-1-yl)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxylic acid
SMILESCc1nc(CN2CCC(C(=O)O)(n3ccc(C(C)(C)C)n3)CC2)co1
InChIInChI=1S/C18H26N4O3/c1-13-19-14(12-25-13)11-21-9-6-18(7-10-21,16(23)24)22-8-5-15(20-22)17(2,3)4/h5,8,12H,6-7,9-11H2,1-4H3,(H,23,24)
InChIKeyYUCJFQUSXWIBOL-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.55
Rot. Bonds4

About 4-(3-tert-butylpyrazol-1-yl)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxylic acid

4-(3-tert-butylpyrazol-1-yl)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxylic acid (PubChem CID 56887803) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-(3-tert-butylpyrazol-1-yl)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(3-tert-butylpyrazol-1-yl)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxylic acid
PubChem CID56887803
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name4-(3-tert-butylpyrazol-1-yl)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxylic acid
SMILESCc1nc(CN2CCC(C(=O)O)(n3ccc(C(C)(C)C)n3)CC2)co1
InChIInChI=1S/C18H26N4O3/c1-13-19-14(12-25-13)11-21-9-6-18(7-10-21,16(23)24)22-8-5-15(20-22)17(2,3)4/h5,8,12H,6-7,9-11H2,1-4H3,(H,23,24)
InChIKeyYUCJFQUSXWIBOL-UHFFFAOYSA-N
XLogP2.55
TPSA84.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(3-tert-butylpyrazol-1-yl)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxylic acid with MolForge

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Related Compounds

4-(3-tert-butylpyrazol-1-yl)-1-[(4-cyano-5-methyl-1H-pyrrol-2-yl)methyl]piperidine-4-carboxylic acid
CID 70735142
4-(3-tert-butylpyrazol-1-yl)-1-(spiro[2.3]hexane-2-carbonyl)piperidine-4-carboxylic acid
CID 56906206
4-(3-tert-butylpyrazol-1-yl)-1-(2,2-difluorocyclopropanecarbonyl)piperidine-4-carboxylic acid
CID 56884134
1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-ol
CID 130996437
1-[(4-fluorophenyl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
CID 56895010
(3R)-8-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95883048
4-(3-chlorophenyl)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-ol
CID 169137807
(5R)-7-[(2-methyl-1,3-oxazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 96576097
4-[3-(furan-2-yl)pyrazol-1-yl]-1-(thiophen-2-ylmethyl)piperidine-4-carboxylic acid
CID 70726800
4-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-ol
CID 80703344
1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
CID 70760438
(5S)-3-methyl-9-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95717355

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butylpyrazol-1-yl)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-(3-tert-butylpyrazol-1-yl)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxylic acid (CID 56887803) is 4-(3-tert-butylpyrazol-1-yl)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(3-tert-butylpyrazol-1-yl)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-(3-tert-butylpyrazol-1-yl)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxylic acid is Cc1nc(CN2CCC(C(=O)O)(n3ccc(C(C)(C)C)n3)CC2)co1.
What is the InChIKey of 4-(3-tert-butylpyrazol-1-yl)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxylic acid?
The InChIKey is YUCJFQUSXWIBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-13-19-14(12-25-13)11-21-9-6-18(7-10-21,16(23)24)22-8-5-15(20-22)17(2,3)4/h5,8,12H,6-7,9-11H2,1-4H3,(H,23,24).
What are the key properties of 4-(3-tert-butylpyrazol-1-yl)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxylic acid?
4-(3-tert-butylpyrazol-1-yl)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxylic acid has a molecular weight of 346.43 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butylpyrazol-1-yl)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 56887803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).