N-[[(3S,4R)-3-(dimethylamino)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide

C18H33N5O2 — CID 91920969

IUPACN-[[(3S,4R)-3-(dimethylamino)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide
SMILESCCn1ncc(CN2CC[C@H](CNC(=O)COC)[C@H](N(C)C)C2)c1C
InChIInChI=1S/C18H33N5O2/c1-6-23-14(2)16(10-20-23)11-22-8-7-15(17(12-22)21(3)4)9-19-18(24)13-25-5/h10,15,17H,6-9,11-13H2,1-5H3,(H,19,24)/t15-,17-/m1/s1
InChIKeyWHNJGFDCQZVRHQ-NVXWUHKLSA-N
MW351.50 g/mol
LogP0.73
Rot. Bonds8

About N-[[(3S,4R)-3-(dimethylamino)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide

N-[[(3S,4R)-3-(dimethylamino)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide (PubChem CID 91920969) has the molecular formula C18H33N5O2 and a molecular weight of 351.50 g/mol. Its IUPAC name is N-[[(3S,4R)-3-(dimethylamino)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[(3S,4R)-3-(dimethylamino)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide
PubChem CID91920969
Molecular FormulaC18H33N5O2
Molecular Weight351.50 g/mol
Exact Mass351.26
IUPAC NameN-[[(3S,4R)-3-(dimethylamino)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide
SMILESCCn1ncc(CN2CC[C@H](CNC(=O)COC)[C@H](N(C)C)C2)c1C
InChIInChI=1S/C18H33N5O2/c1-6-23-14(2)16(10-20-23)11-22-8-7-15(17(12-22)21(3)4)9-19-18(24)13-25-5/h10,15,17H,6-9,11-13H2,1-5H3,(H,19,24)/t15-,17-/m1/s1
InChIKeyWHNJGFDCQZVRHQ-NVXWUHKLSA-N
XLogP0.73
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S,4R)-3-(dimethylamino)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[(3S,4R)-3-(dimethylamino)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide (CID 91920969) is N-[[(3S,4R)-3-(dimethylamino)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[(3S,4R)-3-(dimethylamino)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[(3S,4R)-3-(dimethylamino)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide is CCn1ncc(CN2CC[C@H](CNC(=O)COC)[C@H](N(C)C)C2)c1C.
What is the InChIKey of N-[[(3S,4R)-3-(dimethylamino)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide?
The InChIKey is WHNJGFDCQZVRHQ-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H33N5O2/c1-6-23-14(2)16(10-20-23)11-22-8-7-15(17(12-22)21(3)4)9-19-18(24)13-25-5/h10,15,17H,6-9,11-13H2,1-5H3,(H,19,24)/t15-,17-/m1/s1.
What are the key properties of N-[[(3S,4R)-3-(dimethylamino)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide?
N-[[(3S,4R)-3-(dimethylamino)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide has a molecular weight of 351.50 g/mol, XLogP of 0.73, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,4R)-3-(dimethylamino)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 91920969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).