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

C19H31N3O3 — CID 91920973

IUPACN-[[(3S,4R)-3-(dimethylamino)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@H]1CCN(Cc2ccc(OC)cc2)C[C@H]1N(C)C
InChIInChI=1S/C19H31N3O3/c1-21(2)18-13-22(12-15-5-7-17(25-4)8-6-15)10-9-16(18)11-20-19(23)14-24-3/h5-8,16,18H,9-14H2,1-4H3,(H,20,23)/t16-,18-/m1/s1
InChIKeyCMNILYVQTWMVDC-SJLPKXTDSA-N
MW349.48 g/mol
LogP1.21
Rot. Bonds8

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

N-[[(3S,4R)-3-(dimethylamino)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide (PubChem CID 91920973) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[[(3S,4R)-3-(dimethylamino)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[(3S,4R)-3-(dimethylamino)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide
PubChem CID91920973
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC NameN-[[(3S,4R)-3-(dimethylamino)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@H]1CCN(Cc2ccc(OC)cc2)C[C@H]1N(C)C
InChIInChI=1S/C19H31N3O3/c1-21(2)18-13-22(12-15-5-7-17(25-4)8-6-15)10-9-16(18)11-20-19(23)14-24-3/h5-8,16,18H,9-14H2,1-4H3,(H,20,23)/t16-,18-/m1/s1
InChIKeyCMNILYVQTWMVDC-SJLPKXTDSA-N
XLogP1.21
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S,4R)-3-(dimethylamino)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[(3S,4R)-3-(dimethylamino)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide (CID 91920973) is N-[[(3S,4R)-3-(dimethylamino)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[(3S,4R)-3-(dimethylamino)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[(3S,4R)-3-(dimethylamino)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide is COCC(=O)NC[C@H]1CCN(Cc2ccc(OC)cc2)C[C@H]1N(C)C.
What is the InChIKey of N-[[(3S,4R)-3-(dimethylamino)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide?
The InChIKey is CMNILYVQTWMVDC-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-21(2)18-13-22(12-15-5-7-17(25-4)8-6-15)10-9-16(18)11-20-19(23)14-24-3/h5-8,16,18H,9-14H2,1-4H3,(H,20,23)/t16-,18-/m1/s1.
What are the key properties of N-[[(3S,4R)-3-(dimethylamino)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide?
N-[[(3S,4R)-3-(dimethylamino)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide has a molecular weight of 349.48 g/mol, XLogP of 1.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,4R)-3-(dimethylamino)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 91920973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).