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

C20H32N4O2 — CID 75473834

IUPACN-[5-[1-(2-ethylbutanoyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
SMILESCCC(CC)C(=O)N1CCCC(c2[nH]ncc2NC(=O)C2CCCC2)C1
InChIInChI=1S/C20H32N4O2/c1-3-14(4-2)20(26)24-11-7-10-16(13-24)18-17(12-21-23-18)22-19(25)15-8-5-6-9-15/h12,14-16H,3-11,13H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyLQZUPXDHAXGYCA-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.68
Rot. Bonds6

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

N-[5-[1-(2-ethylbutanoyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide (PubChem CID 75473834) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[5-[1-(2-ethylbutanoyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[5-[1-(2-ethylbutanoyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
PubChem CID75473834
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC NameN-[5-[1-(2-ethylbutanoyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
SMILESCCC(CC)C(=O)N1CCCC(c2[nH]ncc2NC(=O)C2CCCC2)C1
InChIInChI=1S/C20H32N4O2/c1-3-14(4-2)20(26)24-11-7-10-16(13-24)18-17(12-21-23-18)22-19(25)15-8-5-6-9-15/h12,14-16H,3-11,13H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyLQZUPXDHAXGYCA-UHFFFAOYSA-N
XLogP3.68
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 56739117
CID 56739117
CID 72153927
CID 72153927
CID 110270976
CID 110270976
CID 75480403
CID 75480403
CID 75480405
CID 75480405
CID 75480407
CID 75480407
CID 75480408
CID 75480408
CID 125140069
CID 125140069
CID 132299572
CID 132299572
CID 132360211
CID 132360211
CID 58591099
CID 58591099
CID 86301534
CID 86301534

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(2-ethylbutanoyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide?
The IUPAC name of N-[5-[1-(2-ethylbutanoyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide (CID 75473834) is N-[5-[1-(2-ethylbutanoyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[5-[1-(2-ethylbutanoyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[5-[1-(2-ethylbutanoyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide is CCC(CC)C(=O)N1CCCC(c2[nH]ncc2NC(=O)C2CCCC2)C1.
What is the InChIKey of N-[5-[1-(2-ethylbutanoyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide?
The InChIKey is LQZUPXDHAXGYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-3-14(4-2)20(26)24-11-7-10-16(13-24)18-17(12-21-23-18)22-19(25)15-8-5-6-9-15/h12,14-16H,3-11,13H2,1-2H3,(H,21,23)(H,22,25).
What are the key properties of N-[5-[1-(2-ethylbutanoyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide?
N-[5-[1-(2-ethylbutanoyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide has a molecular weight of 360.50 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(2-ethylbutanoyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide is sourced from PubChem (CID 75473834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).