[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-[(3S)-piperidin-3-yl]methanone

C13H22N2O2 — CID 104921250

IUPAC[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-[(3S)-piperidin-3-yl]methanone
SMILESCOCC1=CCN(C(=O)[C@H]2CCCNC2)CC1
InChIInChI=1S/C13H22N2O2/c1-17-10-11-4-7-15(8-5-11)13(16)12-3-2-6-14-9-12/h4,12,14H,2-3,5-10H2,1H3/t12-/m0/s1
InChIKeyREJNQCYNKRZMLE-LBPRGKRZSA-N
MW238.33 g/mol
LogP0.79
Rot. Bonds3

About [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-[(3S)-piperidin-3-yl]methanone

[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-[(3S)-piperidin-3-yl]methanone (PubChem CID 104921250) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-[(3S)-piperidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-[(3S)-piperidin-3-yl]methanone
PubChem CID104921250
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-[(3S)-piperidin-3-yl]methanone
SMILESCOCC1=CCN(C(=O)[C@H]2CCCNC2)CC1
InChIInChI=1S/C13H22N2O2/c1-17-10-11-4-7-15(8-5-11)13(16)12-3-2-6-14-9-12/h4,12,14H,2-3,5-10H2,1H3/t12-/m0/s1
InChIKeyREJNQCYNKRZMLE-LBPRGKRZSA-N
XLogP0.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 75388441
(3S)-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97241646
(3R)-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97241647
Methyl 2-ethyl-4-[3-(methylcarbamoyl)piperidin-1-yl]but-2-enoate
CID 103196632
(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 104921221
(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[(3R)-piperidin-3-yl]methanone
CID 104921236
(2R)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-methylpentan-1-one
CID 104921261
(3S)-3-(aminomethyl)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-5-methylhexan-1-one
CID 104921270
(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 106313747
(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-piperidin-3-ylmethanone
CID 106313766
(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[(3R)-piperidin-3-yl]methanone
CID 106313934
5-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-2-one
CID 106316310

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-[(3S)-piperidin-3-yl]methanone?
The IUPAC name of [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-[(3S)-piperidin-3-yl]methanone (CID 104921250) is [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-[(3S)-piperidin-3-yl]methanone.
What is the SMILES notation for [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-[(3S)-piperidin-3-yl]methanone?
The canonical SMILES for [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-[(3S)-piperidin-3-yl]methanone is COCC1=CCN(C(=O)[C@H]2CCCNC2)CC1.
What is the InChIKey of [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-[(3S)-piperidin-3-yl]methanone?
The InChIKey is REJNQCYNKRZMLE-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-17-10-11-4-7-15(8-5-11)13(16)12-3-2-6-14-9-12/h4,12,14H,2-3,5-10H2,1H3/t12-/m0/s1.
What are the key properties of [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-[(3S)-piperidin-3-yl]methanone?
[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-[(3S)-piperidin-3-yl]methanone has a molecular weight of 238.33 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-[(3S)-piperidin-3-yl]methanone is sourced from PubChem (CID 104921250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).