N-(1-ethylpyrazol-4-yl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-4-carboxamide

C23H27N5O2 — CID 86882196

IUPACN-(1-ethylpyrazol-4-yl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(C(=O)Cc3ccc(-n4cccc4)cc3)CC2)cn1
InChIInChI=1S/C23H27N5O2/c1-2-28-17-20(16-24-28)25-23(30)19-9-13-27(14-10-19)22(29)15-18-5-7-21(8-6-18)26-11-3-4-12-26/h3-8,11-12,16-17,19H,2,9-10,13-15H2,1H3,(H,25,30)
InChIKeyFSPZMIMGTHMUNC-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.11
Rot. Bonds6

About N-(1-ethylpyrazol-4-yl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-4-carboxamide

N-(1-ethylpyrazol-4-yl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-4-carboxamide (PubChem CID 86882196) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-4-carboxamide
PubChem CID86882196
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-(1-ethylpyrazol-4-yl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(C(=O)Cc3ccc(-n4cccc4)cc3)CC2)cn1
InChIInChI=1S/C23H27N5O2/c1-2-28-17-20(16-24-28)25-23(30)19-9-13-27(14-10-19)22(29)15-18-5-7-21(8-6-18)26-11-3-4-12-26/h3-8,11-12,16-17,19H,2,9-10,13-15H2,1H3,(H,25,30)
InChIKeyFSPZMIMGTHMUNC-UHFFFAOYSA-N
XLogP3.11
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 46472669
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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-4-carboxamide (CID 86882196) is N-(1-ethylpyrazol-4-yl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-4-carboxamide is CCn1cc(NC(=O)C2CCN(C(=O)Cc3ccc(-n4cccc4)cc3)CC2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-4-carboxamide?
The InChIKey is FSPZMIMGTHMUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-2-28-17-20(16-24-28)25-23(30)19-9-13-27(14-10-19)22(29)15-18-5-7-21(8-6-18)26-11-3-4-12-26/h3-8,11-12,16-17,19H,2,9-10,13-15H2,1H3,(H,25,30).
What are the key properties of N-(1-ethylpyrazol-4-yl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-4-carboxamide?
N-(1-ethylpyrazol-4-yl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-4-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 86882196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).