2-(3-hydroxypiperidin-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide

C18H24N4O2 — CID 110884110

IUPAC2-(3-hydroxypiperidin-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
SMILESO=C(CN1CCCC(O)C1)NCCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H24N4O2/c23-17-7-4-10-21(13-17)14-18(24)19-9-8-15-11-20-22(12-15)16-5-2-1-3-6-16/h1-3,5-6,11-12,17,23H,4,7-10,13-14H2,(H,19,24)
InChIKeyRVPHSCVVMZJMAQ-UHFFFAOYSA-N
MW328.42 g/mol
LogP0.99
Rot. Bonds6

About 2-(3-hydroxypiperidin-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide

2-(3-hydroxypiperidin-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide (PubChem CID 110884110) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-(3-hydroxypiperidin-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-hydroxypiperidin-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
PubChem CID110884110
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-(3-hydroxypiperidin-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
SMILESO=C(CN1CCCC(O)C1)NCCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H24N4O2/c23-17-7-4-10-21(13-17)14-18(24)19-9-8-15-11-20-22(12-15)16-5-2-1-3-6-16/h1-3,5-6,11-12,17,23H,4,7-10,13-14H2,(H,19,24)
InChIKeyRVPHSCVVMZJMAQ-UHFFFAOYSA-N
XLogP0.99
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 99973189
N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide
CID 134000509
N-[2-(1-phenylpyrazol-4-yl)ethyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
CID 78841970
N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 94115482
2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide
CID 55922732
N-[2-(cycloheptylamino)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 119619446
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 16613855
1-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]azepane-2-carboxamide
CID 72864530
2-(3-hydroxypiperidin-1-yl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 110897518
3-(oxazinan-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]propanamide
CID 46984820
2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000703
3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide
CID 119700606

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypiperidin-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(3-hydroxypiperidin-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide (CID 110884110) is 2-(3-hydroxypiperidin-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-hydroxypiperidin-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-hydroxypiperidin-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide is O=C(CN1CCCC(O)C1)NCCc1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-(3-hydroxypiperidin-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
The InChIKey is RVPHSCVVMZJMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-17-7-4-10-21(13-17)14-18(24)19-9-8-15-11-20-22(12-15)16-5-2-1-3-6-16/h1-3,5-6,11-12,17,23H,4,7-10,13-14H2,(H,19,24).
What are the key properties of 2-(3-hydroxypiperidin-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
2-(3-hydroxypiperidin-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide has a molecular weight of 328.42 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypiperidin-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 110884110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).