(2R)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-phenyl-N-propan-2-ylacetamide

C20H28N4O — CID 100871736

IUPAC(2R)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-phenyl-N-propan-2-ylacetamide
SMILESCc1cc([C@@H]2CCCN([C@@H](C(=O)NC(C)C)c3ccccc3)C2)n[nH]1
InChIInChI=1S/C20H28N4O/c1-14(2)21-20(25)19(16-8-5-4-6-9-16)24-11-7-10-17(13-24)18-12-15(3)22-23-18/h4-6,8-9,12,14,17,19H,7,10-11,13H2,1-3H3,(H,21,25)(H,22,23)/t17-,19-/m1/s1
InChIKeyXQBGCOKOKTYIKI-IEBWSBKVSA-N
MW340.47 g/mol
LogP3.16
Rot. Bonds5

About (2R)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-phenyl-N-propan-2-ylacetamide

(2R)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-phenyl-N-propan-2-ylacetamide (PubChem CID 100871736) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is (2R)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name(2R)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-phenyl-N-propan-2-ylacetamide
PubChem CID100871736
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name(2R)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-phenyl-N-propan-2-ylacetamide
SMILESCc1cc([C@@H]2CCCN([C@@H](C(=O)NC(C)C)c3ccccc3)C2)n[nH]1
InChIInChI=1S/C20H28N4O/c1-14(2)21-20(25)19(16-8-5-4-6-9-16)24-11-7-10-17(13-24)18-12-15(3)22-23-18/h4-6,8-9,12,14,17,19H,7,10-11,13H2,1-3H3,(H,21,25)(H,22,23)/t17-,19-/m1/s1
InChIKeyXQBGCOKOKTYIKI-IEBWSBKVSA-N
XLogP3.16
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-phenyl-N-propan-2-ylacetamide?
The IUPAC name of (2R)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-phenyl-N-propan-2-ylacetamide (CID 100871736) is (2R)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for (2R)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for (2R)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-phenyl-N-propan-2-ylacetamide is Cc1cc([C@@H]2CCCN([C@@H](C(=O)NC(C)C)c3ccccc3)C2)n[nH]1.
What is the InChIKey of (2R)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-phenyl-N-propan-2-ylacetamide?
The InChIKey is XQBGCOKOKTYIKI-IEBWSBKVSA-N. The full InChI is InChI=1S/C20H28N4O/c1-14(2)21-20(25)19(16-8-5-4-6-9-16)24-11-7-10-17(13-24)18-12-15(3)22-23-18/h4-6,8-9,12,14,17,19H,7,10-11,13H2,1-3H3,(H,21,25)(H,22,23)/t17-,19-/m1/s1.
What are the key properties of (2R)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-phenyl-N-propan-2-ylacetamide?
(2R)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-phenyl-N-propan-2-ylacetamide has a molecular weight of 340.47 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 100871736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).