N-cyclopentyl-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide

C17H28N4O2 — CID 51104603

IUPACN-cyclopentyl-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(c2ccnn2CCO)CC1)NC1CCCC1
InChIInChI=1S/C17H28N4O2/c22-12-11-21-16(5-8-18-21)14-6-9-20(10-7-14)13-17(23)19-15-3-1-2-4-15/h5,8,14-15,22H,1-4,6-7,9-13H2,(H,19,23)
InChIKeyYAPQWPBKLIMICI-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.11
Rot. Bonds6

About N-cyclopentyl-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide

N-cyclopentyl-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide (PubChem CID 51104603) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide
PubChem CID51104603
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-cyclopentyl-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(c2ccnn2CCO)CC1)NC1CCCC1
InChIInChI=1S/C17H28N4O2/c22-12-11-21-16(5-8-18-21)14-6-9-20(10-7-14)13-17(23)19-15-3-1-2-4-15/h5,8,14-15,22H,1-4,6-7,9-13H2,(H,19,23)
InChIKeyYAPQWPBKLIMICI-UHFFFAOYSA-N
XLogP1.11
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide (CID 51104603) is N-cyclopentyl-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide is O=C(CN1CCC(c2ccnn2CCO)CC1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide?
The InChIKey is YAPQWPBKLIMICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c22-12-11-21-16(5-8-18-21)14-6-9-20(10-7-14)13-17(23)19-15-3-1-2-4-15/h5,8,14-15,22H,1-4,6-7,9-13H2,(H,19,23).
What are the key properties of N-cyclopentyl-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide?
N-cyclopentyl-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide has a molecular weight of 320.44 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 51104603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).