1-(3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one

C13H22N2O2 — CID 114408945

IUPAC1-(3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one
SMILESO=C(CCOC1CCNCC1)N1CC=CCC1
InChIInChI=1S/C13H22N2O2/c16-13(15-9-2-1-3-10-15)6-11-17-12-4-7-14-8-5-12/h1-2,12,14H,3-11H2
InChIKeyWYCVIMFSTNJLGV-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.93
Rot. Bonds4

About 1-(3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one

1-(3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one (PubChem CID 114408945) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one.

Molecular Properties

Compound Name1-(3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one
PubChem CID114408945
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-(3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one
SMILESO=C(CCOC1CCNCC1)N1CC=CCC1
InChIInChI=1S/C13H22N2O2/c16-13(15-9-2-1-3-10-15)6-11-17-12-4-7-14-8-5-12/h1-2,12,14H,3-11H2
InChIKeyWYCVIMFSTNJLGV-UHFFFAOYSA-N
XLogP0.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.93
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

3-piperidin-4-yloxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 114489841
3-piperidin-4-yloxy-N-propan-2-yl-N-prop-2-enylpropanamide
CID 55251953
N-(cyclohex-3-en-1-ylmethyl)-3-piperidin-4-yloxypropanamide
CID 55252055
(3E)-N-[2-(4-ethylmorpholin-2-yl)ethyl]pent-3-enamide
CID 56720081
N-(3-piperidin-4-yloxypropyl)but-3-enamide
CID 63870123
N-(3-piperidin-4-yloxypropyl)pent-4-enamide
CID 63871793
3-piperidin-4-yloxy-N-prop-2-enylpropanamide
CID 63875272
3-piperidin-4-yloxy-N,N-bis(prop-2-enyl)propanamide
CID 63875438
N-[2-(cyclohexen-1-yl)ethyl]-3-piperidin-4-yloxypropanamide
CID 63876296
3-Piperidin-4-yloxy-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
CID 63904672
N-cyclohex-3-en-1-yl-3-piperidin-4-yloxypropanamide
CID 65702314
N-[2-(4-ethylmorpholin-2-yl)ethyl]pent-3-enamide
CID 72072067

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one?
The IUPAC name of 1-(3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one (CID 114408945) is 1-(3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one.
What is the SMILES notation for 1-(3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one?
The canonical SMILES for 1-(3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one is O=C(CCOC1CCNCC1)N1CC=CCC1.
What is the InChIKey of 1-(3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one?
The InChIKey is WYCVIMFSTNJLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c16-13(15-9-2-1-3-10-15)6-11-17-12-4-7-14-8-5-12/h1-2,12,14H,3-11H2.
What are the key properties of 1-(3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one?
1-(3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one has a molecular weight of 238.33 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one is sourced from PubChem (CID 114408945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).