1-[(2R)-2-[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]-2-methoxyethanone

C17H30N2O3 — CID 95223725

IUPAC1-[(2R)-2-[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]-2-methoxyethanone
SMILESCCOCCN1CCC=C([C@H]2CCCCN2C(=O)COC)C1
InChIInChI=1S/C17H30N2O3/c1-3-22-12-11-18-9-6-7-15(13-18)16-8-4-5-10-19(16)17(20)14-21-2/h7,16H,3-6,8-14H2,1-2H3/t16-/m1/s1
InChIKeyMHKWQJKGGPZMPV-MRXNPFEDSA-N
MW310.44 g/mol
LogP1.68
Rot. Bonds7

About 1-[(2R)-2-[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]-2-methoxyethanone

1-[(2R)-2-[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]-2-methoxyethanone (PubChem CID 95223725) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-[(2R)-2-[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[(2R)-2-[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]-2-methoxyethanone
PubChem CID95223725
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name1-[(2R)-2-[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]-2-methoxyethanone
SMILESCCOCCN1CCC=C([C@H]2CCCCN2C(=O)COC)C1
InChIInChI=1S/C17H30N2O3/c1-3-22-12-11-18-9-6-7-15(13-18)16-8-4-5-10-19(16)17(20)14-21-2/h7,16H,3-6,8-14H2,1-2H3/t16-/m1/s1
InChIKeyMHKWQJKGGPZMPV-MRXNPFEDSA-N
XLogP1.68
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(2R)-2-[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]-2-methoxyethanone with MolForge

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Related Compounds

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4-(4-Aminocyclohex-2-en-1-yl)morpholin-3-one
CID 129065303
1-[(1-Cyclohex-2-en-1-yl-1,2,3,6-tetrahydropyridin-4-yl)methyl]-4-(methoxyacetyl)-1,4-diazepane
CID 56702080
1-(2-Ethoxyethyl)-5-[1-(methoxyacetyl)piperidin-2-yl]-1,2,3,6-tetrahydropyridine
CID 56719528
1-[4-[[1-[(1R)-cyclohex-2-en-1-yl]-3,6-dihydro-2H-pyridin-4-yl]methyl]-1,4-diazepan-1-yl]-2-methoxyethanone
CID 95190045
1-[(2S)-2-[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]-2-methoxyethanone
CID 95223724
1-[4-[[1-[(1S)-cyclohex-2-en-1-yl]-3,6-dihydro-2H-pyridin-4-yl]methyl]-1,4-diazepan-1-yl]-2-methoxyethanone
CID 99950367
N-[2-(cyclohexen-1-yl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113116716
(5R)-2-(cyclohexen-1-ylmethyl)-9-methyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one
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(5S)-2-(cyclohexen-1-ylmethyl)-9-methyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one
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(2R)-4-(cyclohexen-1-ylmethyl)-N,N-dimethylmorpholine-2-carboxamide
CID 129622449

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[(2R)-2-[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]-2-methoxyethanone (CID 95223725) is 1-[(2R)-2-[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[(2R)-2-[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[(2R)-2-[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]-2-methoxyethanone is CCOCCN1CCC=C([C@H]2CCCCN2C(=O)COC)C1.
What is the InChIKey of 1-[(2R)-2-[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]-2-methoxyethanone?
The InChIKey is MHKWQJKGGPZMPV-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-3-22-12-11-18-9-6-7-15(13-18)16-8-4-5-10-19(16)17(20)14-21-2/h7,16H,3-6,8-14H2,1-2H3/t16-/m1/s1.
What are the key properties of 1-[(2R)-2-[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]-2-methoxyethanone?
1-[(2R)-2-[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]-2-methoxyethanone has a molecular weight of 310.44 g/mol, XLogP of 1.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 95223725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).