N-[2-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide

C21H28N4O2 — CID 24819279

IUPACN-[2-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESO=C(Nc1ccnn1C1CCN(Cc2cccc(O)c2)CC1)C1CCCC1
InChIInChI=1S/C21H28N4O2/c26-19-7-3-4-16(14-19)15-24-12-9-18(10-13-24)25-20(8-11-22-25)23-21(27)17-5-1-2-6-17/h3-4,7-8,11,14,17-18,26H,1-2,5-6,9-10,12-13,15H2,(H,23,27)
InChIKeyDXQWMIVOQXBGSS-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.55
Rot. Bonds5

About N-[2-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide

N-[2-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (PubChem CID 24819279) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[2-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
PubChem CID24819279
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[2-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESO=C(Nc1ccnn1C1CCN(Cc2cccc(O)c2)CC1)C1CCCC1
InChIInChI=1S/C21H28N4O2/c26-19-7-3-4-16(14-19)15-24-12-9-18(10-13-24)25-20(8-11-22-25)23-21(27)17-5-1-2-6-17/h3-4,7-8,11,14,17-18,26H,1-2,5-6,9-10,12-13,15H2,(H,23,27)
InChIKeyDXQWMIVOQXBGSS-UHFFFAOYSA-N
XLogP3.55
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (CID 24819279) is N-[2-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is O=C(Nc1ccnn1C1CCN(Cc2cccc(O)c2)CC1)C1CCCC1.
What is the InChIKey of N-[2-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The InChIKey is DXQWMIVOQXBGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c26-19-7-3-4-16(14-19)15-24-12-9-18(10-13-24)25-20(8-11-22-25)23-21(27)17-5-1-2-6-17/h3-4,7-8,11,14,17-18,26H,1-2,5-6,9-10,12-13,15H2,(H,23,27).
What are the key properties of N-[2-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
N-[2-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 24819279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).