N-[(3S)-1-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-3-yl]acetamide

C17H31N3O2 — CID 95126106

IUPACN-[(3S)-1-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-3-yl]acetamide
SMILESCCOCCN1CCC=C(CN2CCC[C@H](NC(C)=O)C2)C1
InChIInChI=1S/C17H31N3O2/c1-3-22-11-10-19-8-4-6-16(12-19)13-20-9-5-7-17(14-20)18-15(2)21/h6,17H,3-5,7-14H2,1-2H3,(H,18,21)/t17-/m0/s1
InChIKeyLFYDOARVBQYEAJ-KRWDZBQOSA-N
MW309.45 g/mol
LogP1.26
Rot. Bonds7

About N-[(3S)-1-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-3-yl]acetamide

N-[(3S)-1-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-3-yl]acetamide (PubChem CID 95126106) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is N-[(3S)-1-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-3-yl]acetamide
PubChem CID95126106
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC NameN-[(3S)-1-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-3-yl]acetamide
SMILESCCOCCN1CCC=C(CN2CCC[C@H](NC(C)=O)C2)C1
InChIInChI=1S/C17H31N3O2/c1-3-22-11-10-19-8-4-6-16(12-19)13-20-9-5-7-17(14-20)18-15(2)21/h6,17H,3-5,7-14H2,1-2H3,(H,18,21)/t17-/m0/s1
InChIKeyLFYDOARVBQYEAJ-KRWDZBQOSA-N
XLogP1.26
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-3-yl]acetamide (CID 95126106) is N-[(3S)-1-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-3-yl]acetamide is CCOCCN1CCC=C(CN2CCC[C@H](NC(C)=O)C2)C1.
What is the InChIKey of N-[(3S)-1-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-3-yl]acetamide?
The InChIKey is LFYDOARVBQYEAJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-3-22-11-10-19-8-4-6-16(12-19)13-20-9-5-7-17(14-20)18-15(2)21/h6,17H,3-5,7-14H2,1-2H3,(H,18,21)/t17-/m0/s1.
What are the key properties of N-[(3S)-1-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-3-yl]acetamide?
N-[(3S)-1-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-3-yl]acetamide has a molecular weight of 309.45 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 95126106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).