N-ethyl-4-[5-(4-phenylbutanoylamino)pyrazol-1-yl]piperidine-1-carboxamide

C21H29N5O2 — CID 24790266

IUPACN-ethyl-4-[5-(4-phenylbutanoylamino)pyrazol-1-yl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C21H29N5O2/c1-2-22-21(28)25-15-12-18(13-16-25)26-19(11-14-23-26)24-20(27)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,11,14,18H,2,6,9-10,12-13,15-16H2,1H3,(H,22,28)(H,24,27)
InChIKeyJEEURMSNRKRNAL-UHFFFAOYSA-N
MW383.50 g/mol
LogP3.21
Rot. Bonds7

About N-ethyl-4-[5-(4-phenylbutanoylamino)pyrazol-1-yl]piperidine-1-carboxamide

N-ethyl-4-[5-(4-phenylbutanoylamino)pyrazol-1-yl]piperidine-1-carboxamide (PubChem CID 24790266) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-ethyl-4-[5-(4-phenylbutanoylamino)pyrazol-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[5-(4-phenylbutanoylamino)pyrazol-1-yl]piperidine-1-carboxamide
PubChem CID24790266
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC NameN-ethyl-4-[5-(4-phenylbutanoylamino)pyrazol-1-yl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C21H29N5O2/c1-2-22-21(28)25-15-12-18(13-16-25)26-19(11-14-23-26)24-20(27)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,11,14,18H,2,6,9-10,12-13,15-16H2,1H3,(H,22,28)(H,24,27)
InChIKeyJEEURMSNRKRNAL-UHFFFAOYSA-N
XLogP3.21
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[5-(4-phenylbutanoylamino)pyrazol-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-ethyl-4-[5-(4-phenylbutanoylamino)pyrazol-1-yl]piperidine-1-carboxamide (CID 24790266) is N-ethyl-4-[5-(4-phenylbutanoylamino)pyrazol-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-[5-(4-phenylbutanoylamino)pyrazol-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-ethyl-4-[5-(4-phenylbutanoylamino)pyrazol-1-yl]piperidine-1-carboxamide is CCNC(=O)N1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1.
What is the InChIKey of N-ethyl-4-[5-(4-phenylbutanoylamino)pyrazol-1-yl]piperidine-1-carboxamide?
The InChIKey is JEEURMSNRKRNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-2-22-21(28)25-15-12-18(13-16-25)26-19(11-14-23-26)24-20(27)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,11,14,18H,2,6,9-10,12-13,15-16H2,1H3,(H,22,28)(H,24,27).
What are the key properties of N-ethyl-4-[5-(4-phenylbutanoylamino)pyrazol-1-yl]piperidine-1-carboxamide?
N-ethyl-4-[5-(4-phenylbutanoylamino)pyrazol-1-yl]piperidine-1-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[5-(4-phenylbutanoylamino)pyrazol-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 24790266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).