N-(1,4-dimethylpyrazol-5-yl)-2-[(2S)-1-methylpiperidin-2-yl]acetamide

C13H22N4O — CID 39794125

IUPACN-(1,4-dimethylpyrazol-5-yl)-2-[(2S)-1-methylpiperidin-2-yl]acetamide
SMILESCc1cnn(C)c1NC(=O)C[C@@H]1CCCCN1C
InChIInChI=1S/C13H22N4O/c1-10-9-14-17(3)13(10)15-12(18)8-11-6-4-5-7-16(11)2/h9,11H,4-8H2,1-3H3,(H,15,18)/t11-/m0/s1
InChIKeyUMSFJBYFAYFFAH-NSHDSACASA-N
MW250.35 g/mol
LogP1.54
Rot. Bonds3

About N-(1,4-dimethylpyrazol-5-yl)-2-[(2S)-1-methylpiperidin-2-yl]acetamide

N-(1,4-dimethylpyrazol-5-yl)-2-[(2S)-1-methylpiperidin-2-yl]acetamide (PubChem CID 39794125) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(1,4-dimethylpyrazol-5-yl)-2-[(2S)-1-methylpiperidin-2-yl]acetamide.

Molecular Properties

Compound NameN-(1,4-dimethylpyrazol-5-yl)-2-[(2S)-1-methylpiperidin-2-yl]acetamide
PubChem CID39794125
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(1,4-dimethylpyrazol-5-yl)-2-[(2S)-1-methylpiperidin-2-yl]acetamide
SMILESCc1cnn(C)c1NC(=O)C[C@@H]1CCCCN1C
InChIInChI=1S/C13H22N4O/c1-10-9-14-17(3)13(10)15-12(18)8-11-6-4-5-7-16(11)2/h9,11H,4-8H2,1-3H3,(H,15,18)/t11-/m0/s1
InChIKeyUMSFJBYFAYFFAH-NSHDSACASA-N
XLogP1.54
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethylpyrazol-5-yl)-2-[(2S)-1-methylpiperidin-2-yl]acetamide?
The IUPAC name of N-(1,4-dimethylpyrazol-5-yl)-2-[(2S)-1-methylpiperidin-2-yl]acetamide (CID 39794125) is N-(1,4-dimethylpyrazol-5-yl)-2-[(2S)-1-methylpiperidin-2-yl]acetamide.
What is the SMILES notation for N-(1,4-dimethylpyrazol-5-yl)-2-[(2S)-1-methylpiperidin-2-yl]acetamide?
The canonical SMILES for N-(1,4-dimethylpyrazol-5-yl)-2-[(2S)-1-methylpiperidin-2-yl]acetamide is Cc1cnn(C)c1NC(=O)C[C@@H]1CCCCN1C.
What is the InChIKey of N-(1,4-dimethylpyrazol-5-yl)-2-[(2S)-1-methylpiperidin-2-yl]acetamide?
The InChIKey is UMSFJBYFAYFFAH-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-9-14-17(3)13(10)15-12(18)8-11-6-4-5-7-16(11)2/h9,11H,4-8H2,1-3H3,(H,15,18)/t11-/m0/s1.
What are the key properties of N-(1,4-dimethylpyrazol-5-yl)-2-[(2S)-1-methylpiperidin-2-yl]acetamide?
N-(1,4-dimethylpyrazol-5-yl)-2-[(2S)-1-methylpiperidin-2-yl]acetamide has a molecular weight of 250.35 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethylpyrazol-5-yl)-2-[(2S)-1-methylpiperidin-2-yl]acetamide is sourced from PubChem (CID 39794125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).