4-imidazol-1-yl-1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidine-4-carboxylic acid

C16H21N5O3 — CID 56903488

IUPAC4-imidazol-1-yl-1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidine-4-carboxylic acid
SMILESCc1ccn(CCC(=O)N2CCC(C(=O)O)(n3ccnc3)CC2)n1
InChIInChI=1S/C16H21N5O3/c1-13-2-7-21(18-13)8-3-14(22)19-9-4-16(5-10-19,15(23)24)20-11-6-17-12-20/h2,6-7,11-12H,3-5,8-10H2,1H3,(H,23,24)
InChIKeyRVPMKECMPCDFMX-UHFFFAOYSA-N
MW331.38 g/mol
LogP0.88
Rot. Bonds5

About 4-imidazol-1-yl-1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidine-4-carboxylic acid

4-imidazol-1-yl-1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidine-4-carboxylic acid (PubChem CID 56903488) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-imidazol-1-yl-1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-imidazol-1-yl-1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidine-4-carboxylic acid
PubChem CID56903488
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name4-imidazol-1-yl-1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidine-4-carboxylic acid
SMILESCc1ccn(CCC(=O)N2CCC(C(=O)O)(n3ccnc3)CC2)n1
InChIInChI=1S/C16H21N5O3/c1-13-2-7-21(18-13)8-3-14(22)19-9-4-16(5-10-19,15(23)24)20-11-6-17-12-20/h2,6-7,11-12H,3-5,8-10H2,1H3,(H,23,24)
InChIKeyRVPMKECMPCDFMX-UHFFFAOYSA-N
XLogP0.88
TPSA93.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-imidazol-1-yl-1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidine-4-carboxylic acid (CID 56903488) is 4-imidazol-1-yl-1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-imidazol-1-yl-1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-imidazol-1-yl-1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidine-4-carboxylic acid is Cc1ccn(CCC(=O)N2CCC(C(=O)O)(n3ccnc3)CC2)n1.
What is the InChIKey of 4-imidazol-1-yl-1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidine-4-carboxylic acid?
The InChIKey is RVPMKECMPCDFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-13-2-7-21(18-13)8-3-14(22)19-9-4-16(5-10-19,15(23)24)20-11-6-17-12-20/h2,6-7,11-12H,3-5,8-10H2,1H3,(H,23,24).
What are the key properties of 4-imidazol-1-yl-1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidine-4-carboxylic acid?
4-imidazol-1-yl-1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidine-4-carboxylic acid has a molecular weight of 331.38 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 56903488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).