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

C12H20N2O — CID 104921221

IUPAC(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[(3S)-piperidin-3-yl]methanone
SMILESCC1=CCN(C(=O)[C@H]2CCCNC2)CC1
InChIInChI=1S/C12H20N2O/c1-10-4-7-14(8-5-10)12(15)11-3-2-6-13-9-11/h4,11,13H,2-3,5-9H2,1H3/t11-/m0/s1
InChIKeyAVVMIXRJNRLMIS-NSHDSACASA-N
MW208.30 g/mol
LogP1.16
Rot. Bonds1

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

(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[(3S)-piperidin-3-yl]methanone (PubChem CID 104921221) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[(3S)-piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[(3S)-piperidin-3-yl]methanone
PubChem CID104921221
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[(3S)-piperidin-3-yl]methanone
SMILESCC1=CCN(C(=O)[C@H]2CCCNC2)CC1
InChIInChI=1S/C12H20N2O/c1-10-4-7-14(8-5-10)12(15)11-3-2-6-13-9-11/h4,11,13H,2-3,5-9H2,1H3/t11-/m0/s1
InChIKeyAVVMIXRJNRLMIS-NSHDSACASA-N
XLogP1.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[(3S)-piperidin-3-yl]methanone with MolForge

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Related Compounds

Cambridge id 5424833
CID 5721706
2-{1-[(2E)-Hex-2-EN-1-YL]piperidin-4-YL}-N-methylacetamide
CID 56701855
(3S)-1-[(Z)-hept-4-enyl]-N,3-dimethylpiperidine-3-carboxamide
CID 164631868
1-(3-methylbut-2-enyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 86778017
(3S)-1-(3-methylbut-2-enyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 96086302
(3R)-1-(3-methylbut-2-enyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 96086303
[(3R)-piperidin-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 104930313
[(3S)-piperidin-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 113591616
piperidin-3-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 113591623
2-(aminomethyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one
CID 113591628
5-amino-2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one
CID 113591656
5-amino-4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one
CID 114489782

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[(3S)-piperidin-3-yl]methanone?
The IUPAC name of (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[(3S)-piperidin-3-yl]methanone (CID 104921221) is (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[(3S)-piperidin-3-yl]methanone.
What is the SMILES notation for (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[(3S)-piperidin-3-yl]methanone?
The canonical SMILES for (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[(3S)-piperidin-3-yl]methanone is CC1=CCN(C(=O)[C@H]2CCCNC2)CC1.
What is the InChIKey of (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[(3S)-piperidin-3-yl]methanone?
The InChIKey is AVVMIXRJNRLMIS-NSHDSACASA-N. The full InChI is InChI=1S/C12H20N2O/c1-10-4-7-14(8-5-10)12(15)11-3-2-6-13-9-11/h4,11,13H,2-3,5-9H2,1H3/t11-/m0/s1.
What are the key properties of (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[(3S)-piperidin-3-yl]methanone?
(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[(3S)-piperidin-3-yl]methanone has a molecular weight of 208.30 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[(3S)-piperidin-3-yl]methanone is sourced from PubChem (CID 104921221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).