N-[(2S,4R,6S)-2-ethyl-6-[1-(2-methoxyethyl)piperidin-4-yl]oxan-4-yl]acetamide

C17H32N2O3 — CID 50966198

IUPACN-[(2S,4R,6S)-2-ethyl-6-[1-(2-methoxyethyl)piperidin-4-yl]oxan-4-yl]acetamide
SMILESCC[C@H]1C[C@@H](NC(C)=O)C[C@@H](C2CCN(CCOC)CC2)O1
InChIInChI=1S/C17H32N2O3/c1-4-16-11-15(18-13(2)20)12-17(22-16)14-5-7-19(8-6-14)9-10-21-3/h14-17H,4-12H2,1-3H3,(H,18,20)/t15-,16+,17+/m1/s1
InChIKeyIAKGGJBOXOEGHX-IKGGRYGDSA-N
MW312.45 g/mol
LogP1.81
Rot. Bonds6

About N-[(2S,4R,6S)-2-ethyl-6-[1-(2-methoxyethyl)piperidin-4-yl]oxan-4-yl]acetamide

N-[(2S,4R,6S)-2-ethyl-6-[1-(2-methoxyethyl)piperidin-4-yl]oxan-4-yl]acetamide (PubChem CID 50966198) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is N-[(2S,4R,6S)-2-ethyl-6-[1-(2-methoxyethyl)piperidin-4-yl]oxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,4R,6S)-2-ethyl-6-[1-(2-methoxyethyl)piperidin-4-yl]oxan-4-yl]acetamide
PubChem CID50966198
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC NameN-[(2S,4R,6S)-2-ethyl-6-[1-(2-methoxyethyl)piperidin-4-yl]oxan-4-yl]acetamide
SMILESCC[C@H]1C[C@@H](NC(C)=O)C[C@@H](C2CCN(CCOC)CC2)O1
InChIInChI=1S/C17H32N2O3/c1-4-16-11-15(18-13(2)20)12-17(22-16)14-5-7-19(8-6-14)9-10-21-3/h14-17H,4-12H2,1-3H3,(H,18,20)/t15-,16+,17+/m1/s1
InChIKeyIAKGGJBOXOEGHX-IKGGRYGDSA-N
XLogP1.81
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R,6S)-2-ethyl-6-[1-(2-methoxyethyl)piperidin-4-yl]oxan-4-yl]acetamide?
The IUPAC name of N-[(2S,4R,6S)-2-ethyl-6-[1-(2-methoxyethyl)piperidin-4-yl]oxan-4-yl]acetamide (CID 50966198) is N-[(2S,4R,6S)-2-ethyl-6-[1-(2-methoxyethyl)piperidin-4-yl]oxan-4-yl]acetamide.
What is the SMILES notation for N-[(2S,4R,6S)-2-ethyl-6-[1-(2-methoxyethyl)piperidin-4-yl]oxan-4-yl]acetamide?
The canonical SMILES for N-[(2S,4R,6S)-2-ethyl-6-[1-(2-methoxyethyl)piperidin-4-yl]oxan-4-yl]acetamide is CC[C@H]1C[C@@H](NC(C)=O)C[C@@H](C2CCN(CCOC)CC2)O1.
What is the InChIKey of N-[(2S,4R,6S)-2-ethyl-6-[1-(2-methoxyethyl)piperidin-4-yl]oxan-4-yl]acetamide?
The InChIKey is IAKGGJBOXOEGHX-IKGGRYGDSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-4-16-11-15(18-13(2)20)12-17(22-16)14-5-7-19(8-6-14)9-10-21-3/h14-17H,4-12H2,1-3H3,(H,18,20)/t15-,16+,17+/m1/s1.
What are the key properties of N-[(2S,4R,6S)-2-ethyl-6-[1-(2-methoxyethyl)piperidin-4-yl]oxan-4-yl]acetamide?
N-[(2S,4R,6S)-2-ethyl-6-[1-(2-methoxyethyl)piperidin-4-yl]oxan-4-yl]acetamide has a molecular weight of 312.45 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R,6S)-2-ethyl-6-[1-(2-methoxyethyl)piperidin-4-yl]oxan-4-yl]acetamide is sourced from PubChem (CID 50966198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).