1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one

C14H24N2O2 — CID 114172308

IUPAC1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one
SMILESCC1=CCCN(C(=O)CCOC2CCNCC2)C1
InChIInChI=1S/C14H24N2O2/c1-12-3-2-9-16(11-12)14(17)6-10-18-13-4-7-15-8-5-13/h3,13,15H,2,4-11H2,1H3
InChIKeyPGNLIZUJUFUMHY-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.32
Rot. Bonds4

About 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one

1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one (PubChem CID 114172308) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one.

Molecular Properties

Compound Name1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one
PubChem CID114172308
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one
SMILESCC1=CCCN(C(=O)CCOC2CCNCC2)C1
InChIInChI=1S/C14H24N2O2/c1-12-3-2-9-16(11-12)14(17)6-10-18-13-4-7-15-8-5-13/h3,13,15H,2,4-11H2,1H3
InChIKeyPGNLIZUJUFUMHY-UHFFFAOYSA-N
XLogP1.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.32
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
N-(cyclohex-3-en-1-ylmethyl)-3-piperidin-4-yloxypropanamide
CID 55252055
5-(4-ethoxypiperidine-1-carbonyl)-1H-pyridin-2-one
CID 61150546
3-piperidin-4-yloxy-N,N-bis(prop-2-enyl)propanamide
CID 63875438
N-ethyl-N-(2-methylprop-2-enyl)-3-piperidin-4-yloxypropanamide
CID 63875439
N-[2-(cyclohexen-1-yl)ethyl]-3-piperidin-4-yloxypropanamide
CID 63876296
N-cyclohex-3-en-1-yl-3-piperidin-4-yloxypropanamide
CID 65702314
2-methyl-N-(3-piperidin-4-yloxypropyl)pent-2-enamide
CID 77009054
2-methyl-N-(2-piperidin-4-yloxyethyl)pent-2-enamide
CID 77009075
1-[4-(3-Aminopropoxy)piperidin-1-yl]-2-methylpent-2-en-1-one
CID 79737160
N-methyl-3-piperidin-4-yloxy-N-prop-2-enylpropanamide
CID 81808714
3-piperidin-4-yloxy-N-prop-2-enyl-N-propylpropanamide
CID 81809109

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one?
The IUPAC name of 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one (CID 114172308) is 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one.
What is the SMILES notation for 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one?
The canonical SMILES for 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one is CC1=CCCN(C(=O)CCOC2CCNCC2)C1.
What is the InChIKey of 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one?
The InChIKey is PGNLIZUJUFUMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-12-3-2-9-16(11-12)14(17)6-10-18-13-4-7-15-8-5-13/h3,13,15H,2,4-11H2,1H3.
What are the key properties of 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one?
1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one has a molecular weight of 252.36 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one is sourced from PubChem (CID 114172308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).