2-[(3S)-3-hydroxypiperidin-1-yl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide

C18H24N4O2 — CID 124504969

IUPAC2-[(3S)-3-hydroxypiperidin-1-yl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(CN1CCC[C@H](O)C1)NCc1ccccc1Cn1cccn1
InChIInChI=1S/C18H24N4O2/c23-17-7-3-9-21(13-17)14-18(24)19-11-15-5-1-2-6-16(15)12-22-10-4-8-20-22/h1-2,4-6,8,10,17,23H,3,7,9,11-14H2,(H,19,24)/t17-/m0/s1
InChIKeyYAQPEEWSRFRFLR-KRWDZBQOSA-N
MW328.42 g/mol
LogP1.00
Rot. Bonds6

About 2-[(3S)-3-hydroxypiperidin-1-yl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide

2-[(3S)-3-hydroxypiperidin-1-yl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 124504969) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[(3S)-3-hydroxypiperidin-1-yl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(3S)-3-hydroxypiperidin-1-yl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID124504969
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-[(3S)-3-hydroxypiperidin-1-yl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(CN1CCC[C@H](O)C1)NCc1ccccc1Cn1cccn1
InChIInChI=1S/C18H24N4O2/c23-17-7-3-9-21(13-17)14-18(24)19-11-15-5-1-2-6-16(15)12-22-10-4-8-20-22/h1-2,4-6,8,10,17,23H,3,7,9,11-14H2,(H,19,24)/t17-/m0/s1
InChIKeyYAQPEEWSRFRFLR-KRWDZBQOSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R)-3-hydroxypiperidin-1-yl]-N-(quinolin-4-ylmethyl)acetamide
CID 125175300
2-(cyclopropylmethylamino)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 119697944
N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclobutanecarboxamide
CID 35955520
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 78963608
2-(4-oxo-1,3-thiazolidin-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 17397065
1-(2-hydroxycyclohexyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 110933208
N-(furan-2-ylmethyl)-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 29231189
1-methylsulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 51305841
(2S)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
CID 35855214
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 36923501
4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 17483548
2-[2-[(3-hydroxypiperidin-1-yl)methyl]phenyl]acetic acid
CID 115462681

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-hydroxypiperidin-1-yl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[(3S)-3-hydroxypiperidin-1-yl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide (CID 124504969) is 2-[(3S)-3-hydroxypiperidin-1-yl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[(3S)-3-hydroxypiperidin-1-yl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[(3S)-3-hydroxypiperidin-1-yl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide is O=C(CN1CCC[C@H](O)C1)NCc1ccccc1Cn1cccn1.
What is the InChIKey of 2-[(3S)-3-hydroxypiperidin-1-yl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is YAQPEEWSRFRFLR-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-17-7-3-9-21(13-17)14-18(24)19-11-15-5-1-2-6-16(15)12-22-10-4-8-20-22/h1-2,4-6,8,10,17,23H,3,7,9,11-14H2,(H,19,24)/t17-/m0/s1.
What are the key properties of 2-[(3S)-3-hydroxypiperidin-1-yl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
2-[(3S)-3-hydroxypiperidin-1-yl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 328.42 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-hydroxypiperidin-1-yl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 124504969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).