1-(4-carbamoyl-2-pyridinyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid

C18H23N5O3 — CID 56902201

IUPAC1-(4-carbamoyl-2-pyridinyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCC(C)c1ccn(C2(C(=O)O)CCN(c3cc(C(N)=O)ccn3)CC2)n1
InChIInChI=1S/C18H23N5O3/c1-12(2)14-4-8-23(21-14)18(17(25)26)5-9-22(10-6-18)15-11-13(16(19)24)3-7-20-15/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H2,19,24)(H,25,26)
InChIKeyBVJQTULVUULRII-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.58
Rot. Bonds5

About 1-(4-carbamoyl-2-pyridinyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid

1-(4-carbamoyl-2-pyridinyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid (PubChem CID 56902201) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-(4-carbamoyl-2-pyridinyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-carbamoyl-2-pyridinyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
PubChem CID56902201
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name1-(4-carbamoyl-2-pyridinyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCC(C)c1ccn(C2(C(=O)O)CCN(c3cc(C(N)=O)ccn3)CC2)n1
InChIInChI=1S/C18H23N5O3/c1-12(2)14-4-8-23(21-14)18(17(25)26)5-9-22(10-6-18)15-11-13(16(19)24)3-7-20-15/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H2,19,24)(H,25,26)
InChIKeyBVJQTULVUULRII-UHFFFAOYSA-N
XLogP1.58
TPSA114.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-carbamoyl-2-pyridinyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(4-carbamoyl-2-pyridinyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid (CID 56902201) is 1-(4-carbamoyl-2-pyridinyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-carbamoyl-2-pyridinyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-carbamoyl-2-pyridinyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid is CC(C)c1ccn(C2(C(=O)O)CCN(c3cc(C(N)=O)ccn3)CC2)n1.
What is the InChIKey of 1-(4-carbamoyl-2-pyridinyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid?
The InChIKey is BVJQTULVUULRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-12(2)14-4-8-23(21-14)18(17(25)26)5-9-22(10-6-18)15-11-13(16(19)24)3-7-20-15/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H2,19,24)(H,25,26).
What are the key properties of 1-(4-carbamoyl-2-pyridinyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid?
1-(4-carbamoyl-2-pyridinyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid has a molecular weight of 357.41 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-carbamoyl-2-pyridinyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56902201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).