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

C22H30N4O2 — CID 126782239

IUPACN-benzyl-N-cyclopropyl-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(c2ccnn2CCO)CC1)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C22H30N4O2/c27-15-14-26-21(8-11-23-26)19-9-12-24(13-10-19)17-22(28)25(20-6-7-20)16-18-4-2-1-3-5-18/h1-5,8,11,19-20,27H,6-7,9-10,12-17H2
InChIKeyFIKPLDHJTQQWBD-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.25
Rot. Bonds8

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

N-benzyl-N-cyclopropyl-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide (PubChem CID 126782239) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-benzyl-N-cyclopropyl-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-cyclopropyl-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide
PubChem CID126782239
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-benzyl-N-cyclopropyl-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(c2ccnn2CCO)CC1)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C22H30N4O2/c27-15-14-26-21(8-11-23-26)19-9-12-24(13-10-19)17-22(28)25(20-6-7-20)16-18-4-2-1-3-5-18/h1-5,8,11,19-20,27H,6-7,9-10,12-17H2
InChIKeyFIKPLDHJTQQWBD-UHFFFAOYSA-N
XLogP2.25
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclopropyl-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-benzyl-N-cyclopropyl-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide (CID 126782239) is N-benzyl-N-cyclopropyl-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-N-cyclopropyl-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-benzyl-N-cyclopropyl-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide is O=C(CN1CCC(c2ccnn2CCO)CC1)N(Cc1ccccc1)C1CC1.
What is the InChIKey of N-benzyl-N-cyclopropyl-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide?
The InChIKey is FIKPLDHJTQQWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c27-15-14-26-21(8-11-23-26)19-9-12-24(13-10-19)17-22(28)25(20-6-7-20)16-18-4-2-1-3-5-18/h1-5,8,11,19-20,27H,6-7,9-10,12-17H2.
What are the key properties of N-benzyl-N-cyclopropyl-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide?
N-benzyl-N-cyclopropyl-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide has a molecular weight of 382.51 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclopropyl-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 126782239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).