1-(morpholine-4-carbonyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid

C17H26N4O4 — CID 56891386

IUPAC1-(morpholine-4-carbonyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCC(C)c1ccn(C2(C(=O)O)CCN(C(=O)N3CCOCC3)CC2)n1
InChIInChI=1S/C17H26N4O4/c1-13(2)14-3-6-21(18-14)17(15(22)23)4-7-19(8-5-17)16(24)20-9-11-25-12-10-20/h3,6,13H,4-5,7-12H2,1-2H3,(H,22,23)
InChIKeyGIPXWUQSVBJVJP-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.33
Rot. Bonds3

About 1-(morpholine-4-carbonyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid

1-(morpholine-4-carbonyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid (PubChem CID 56891386) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-(morpholine-4-carbonyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(morpholine-4-carbonyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
PubChem CID56891386
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Name1-(morpholine-4-carbonyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCC(C)c1ccn(C2(C(=O)O)CCN(C(=O)N3CCOCC3)CC2)n1
InChIInChI=1S/C17H26N4O4/c1-13(2)14-3-6-21(18-14)17(15(22)23)4-7-19(8-5-17)16(24)20-9-11-25-12-10-20/h3,6,13H,4-5,7-12H2,1-2H3,(H,22,23)
InChIKeyGIPXWUQSVBJVJP-UHFFFAOYSA-N
XLogP1.33
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-propan-2-ylpyrazol-1-yl)-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid
CID 56883218
1-[(4-fluorophenyl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
CID 56895010
1-(4-aminopyrimidin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
CID 56908938
1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
CID 70760438
1-morpholin-4-yl-2-(3-propan-2-ylpyrazol-1-yl)ethanone
CID 97243102
4-ethyl-1-(morpholine-4-carbonyl)piperidine-4-carboxylic acid
CID 63126334
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
4-(3-tert-butylpyrazol-1-yl)-1-(cyclohex-3-ene-1-carbonyl)piperidine-4-carboxylic acid
CID 56912077
4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(3R)-oxolane-3-carbonyl]piperidine-4-carboxylic acid
CID 95874973
4-ethyl-1-(1,4-oxazepane-4-carbonyl)piperidine-4-carboxylic acid
CID 63127462
(4,4-dimethylazepan-1-yl)-morpholin-4-ylmethanone
CID 113246114

Frequently Asked Questions

What is the IUPAC name of 1-(morpholine-4-carbonyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(morpholine-4-carbonyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid (CID 56891386) is 1-(morpholine-4-carbonyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(morpholine-4-carbonyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(morpholine-4-carbonyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid is CC(C)c1ccn(C2(C(=O)O)CCN(C(=O)N3CCOCC3)CC2)n1.
What is the InChIKey of 1-(morpholine-4-carbonyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid?
The InChIKey is GIPXWUQSVBJVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-13(2)14-3-6-21(18-14)17(15(22)23)4-7-19(8-5-17)16(24)20-9-11-25-12-10-20/h3,6,13H,4-5,7-12H2,1-2H3,(H,22,23).
What are the key properties of 1-(morpholine-4-carbonyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid?
1-(morpholine-4-carbonyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid has a molecular weight of 350.42 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(morpholine-4-carbonyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56891386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).