N-[5-[1-(2-cyclopentylacetyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide

C21H32N4O2 — CID 75473824

IUPACN-[5-[1-(2-cyclopentylacetyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
SMILESO=C(Nc1cn[nH]c1C1CCCN(C(=O)CC2CCCC2)C1)C1CCCC1
InChIInChI=1S/C21H32N4O2/c26-19(12-15-6-1-2-7-15)25-11-5-10-17(14-25)20-18(13-22-24-20)23-21(27)16-8-3-4-9-16/h13,15-17H,1-12,14H2,(H,22,24)(H,23,27)
InChIKeyNVVACHFVQOTUMY-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.82
Rot. Bonds5

About N-[5-[1-(2-cyclopentylacetyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide

N-[5-[1-(2-cyclopentylacetyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide (PubChem CID 75473824) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-[5-[1-(2-cyclopentylacetyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[5-[1-(2-cyclopentylacetyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
PubChem CID75473824
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC NameN-[5-[1-(2-cyclopentylacetyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
SMILESO=C(Nc1cn[nH]c1C1CCCN(C(=O)CC2CCCC2)C1)C1CCCC1
InChIInChI=1S/C21H32N4O2/c26-19(12-15-6-1-2-7-15)25-11-5-10-17(14-25)20-18(13-22-24-20)23-21(27)16-8-3-4-9-16/h13,15-17H,1-12,14H2,(H,22,24)(H,23,27)
InChIKeyNVVACHFVQOTUMY-UHFFFAOYSA-N
XLogP3.82
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(2-cyclopentylacetyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide?
The IUPAC name of N-[5-[1-(2-cyclopentylacetyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide (CID 75473824) is N-[5-[1-(2-cyclopentylacetyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[5-[1-(2-cyclopentylacetyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[5-[1-(2-cyclopentylacetyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide is O=C(Nc1cn[nH]c1C1CCCN(C(=O)CC2CCCC2)C1)C1CCCC1.
What is the InChIKey of N-[5-[1-(2-cyclopentylacetyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide?
The InChIKey is NVVACHFVQOTUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c26-19(12-15-6-1-2-7-15)25-11-5-10-17(14-25)20-18(13-22-24-20)23-21(27)16-8-3-4-9-16/h13,15-17H,1-12,14H2,(H,22,24)(H,23,27).
What are the key properties of N-[5-[1-(2-cyclopentylacetyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide?
N-[5-[1-(2-cyclopentylacetyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide has a molecular weight of 372.51 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(2-cyclopentylacetyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide is sourced from PubChem (CID 75473824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).