4-[4-[3-(dimethylamino)propanoyl]pyrazol-1-yl]piperidine-1-carboxylic acid

C14H22N4O3 — CID 139535688

IUPAC4-[4-[3-(dimethylamino)propanoyl]pyrazol-1-yl]piperidine-1-carboxylic acid
SMILESCN(C)CCC(=O)c1cnn(C2CCN(C(=O)O)CC2)c1
InChIInChI=1S/C14H22N4O3/c1-16(2)6-5-13(19)11-9-15-18(10-11)12-3-7-17(8-4-12)14(20)21/h9-10,12H,3-8H2,1-2H3,(H,20,21)
InChIKeyITCAUWCMIPIBCB-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.33
Rot. Bonds5

About 4-[4-[3-(dimethylamino)propanoyl]pyrazol-1-yl]piperidine-1-carboxylic acid

4-[4-[3-(dimethylamino)propanoyl]pyrazol-1-yl]piperidine-1-carboxylic acid (PubChem CID 139535688) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-[4-[3-(dimethylamino)propanoyl]pyrazol-1-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-[3-(dimethylamino)propanoyl]pyrazol-1-yl]piperidine-1-carboxylic acid
PubChem CID139535688
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name4-[4-[3-(dimethylamino)propanoyl]pyrazol-1-yl]piperidine-1-carboxylic acid
SMILESCN(C)CCC(=O)c1cnn(C2CCN(C(=O)O)CC2)c1
InChIInChI=1S/C14H22N4O3/c1-16(2)6-5-13(19)11-9-15-18(10-11)12-3-7-17(8-4-12)14(20)21/h9-10,12H,3-8H2,1-2H3,(H,20,21)
InChIKeyITCAUWCMIPIBCB-UHFFFAOYSA-N
XLogP1.33
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(dimethylamino)propanoyl]pyrazol-1-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[4-[3-(dimethylamino)propanoyl]pyrazol-1-yl]piperidine-1-carboxylic acid (CID 139535688) is 4-[4-[3-(dimethylamino)propanoyl]pyrazol-1-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[4-[3-(dimethylamino)propanoyl]pyrazol-1-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[4-[3-(dimethylamino)propanoyl]pyrazol-1-yl]piperidine-1-carboxylic acid is CN(C)CCC(=O)c1cnn(C2CCN(C(=O)O)CC2)c1.
What is the InChIKey of 4-[4-[3-(dimethylamino)propanoyl]pyrazol-1-yl]piperidine-1-carboxylic acid?
The InChIKey is ITCAUWCMIPIBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-16(2)6-5-13(19)11-9-15-18(10-11)12-3-7-17(8-4-12)14(20)21/h9-10,12H,3-8H2,1-2H3,(H,20,21).
What are the key properties of 4-[4-[3-(dimethylamino)propanoyl]pyrazol-1-yl]piperidine-1-carboxylic acid?
4-[4-[3-(dimethylamino)propanoyl]pyrazol-1-yl]piperidine-1-carboxylic acid has a molecular weight of 294.36 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(dimethylamino)propanoyl]pyrazol-1-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 139535688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).