(2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methylacetamide

C17H31N5O2 — CID 97132931

IUPAC(2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methylacetamide
SMILESCOCCN1CCC(CN(C)C(=O)[C@H](N)c2c(C)n[nH]c2C)CC1
InChIInChI=1S/C17H31N5O2/c1-12-15(13(2)20-19-12)16(18)17(23)21(3)11-14-5-7-22(8-6-14)9-10-24-4/h14,16H,5-11,18H2,1-4H3,(H,19,20)/t16-/m1/s1
InChIKeyPFROYLDWVQXJLG-MRXNPFEDSA-N
MW337.47 g/mol
LogP0.84
Rot. Bonds7

About (2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methylacetamide

(2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methylacetamide (PubChem CID 97132931) has the molecular formula C17H31N5O2 and a molecular weight of 337.47 g/mol. Its IUPAC name is (2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name(2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methylacetamide
PubChem CID97132931
Molecular FormulaC17H31N5O2
Molecular Weight337.47 g/mol
Exact Mass337.25
IUPAC Name(2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methylacetamide
SMILESCOCCN1CCC(CN(C)C(=O)[C@H](N)c2c(C)n[nH]c2C)CC1
InChIInChI=1S/C17H31N5O2/c1-12-15(13(2)20-19-12)16(18)17(23)21(3)11-14-5-7-22(8-6-14)9-10-24-4/h14,16H,5-11,18H2,1-4H3,(H,19,20)/t16-/m1/s1
InChIKeyPFROYLDWVQXJLG-MRXNPFEDSA-N
XLogP0.84
TPSA87.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methylacetamide?
The IUPAC name of (2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methylacetamide (CID 97132931) is (2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methylacetamide.
What is the SMILES notation for (2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methylacetamide?
The canonical SMILES for (2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methylacetamide is COCCN1CCC(CN(C)C(=O)[C@H](N)c2c(C)n[nH]c2C)CC1.
What is the InChIKey of (2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methylacetamide?
The InChIKey is PFROYLDWVQXJLG-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H31N5O2/c1-12-15(13(2)20-19-12)16(18)17(23)21(3)11-14-5-7-22(8-6-14)9-10-24-4/h14,16H,5-11,18H2,1-4H3,(H,19,20)/t16-/m1/s1.
What are the key properties of (2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methylacetamide?
(2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methylacetamide has a molecular weight of 337.47 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 97132931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).