2-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-1-morpholin-4-ylethanone

C18H27N3O2 — CID 125023556

IUPAC2-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-1-morpholin-4-ylethanone
SMILESCc1cccc(C[C@@H]2CCCN(CC(=O)N3CCOCC3)C2)n1
InChIInChI=1S/C18H27N3O2/c1-15-4-2-6-17(19-15)12-16-5-3-7-20(13-16)14-18(22)21-8-10-23-11-9-21/h2,4,6,16H,3,5,7-14H2,1H3/t16-/m0/s1
InChIKeyYZBSIWDKCGWYOS-INIZCTEOSA-N
MW317.43 g/mol
LogP1.50
Rot. Bonds4

About 2-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-1-morpholin-4-ylethanone

2-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 125023556) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-1-morpholin-4-ylethanone
PubChem CID125023556
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-1-morpholin-4-ylethanone
SMILESCc1cccc(C[C@@H]2CCCN(CC(=O)N3CCOCC3)C2)n1
InChIInChI=1S/C18H27N3O2/c1-15-4-2-6-17(19-15)12-16-5-3-7-20(13-16)14-18(22)21-8-10-23-11-9-21/h2,4,6,16H,3,5,7-14H2,1H3/t16-/m0/s1
InChIKeyYZBSIWDKCGWYOS-INIZCTEOSA-N
XLogP1.50
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-1-morpholin-4-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 124947043
1-[2-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 127246420
3-methoxy-1-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]propan-1-one
CID 124973172
5,5-dimethyl-3-[2-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 110103362
2-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 95809060
2,3-dihydro-1,4-benzodioxin-5-yl-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone
CID 124980830
2-methyl-6-[[(3R)-1-[(1-methylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]pyridine
CID 124976617
2-[(1-ethylsulfonylpiperidin-3-yl)methyl]-6-methylpyridine
CID 175652389
(3-ethyl-1,2-oxazol-5-yl)-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone
CID 110103345
2-[(3S)-3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 95809077
2-[(3R)-3-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 95839072
2-methyl-6-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]pyridine
CID 127246408

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-1-morpholin-4-ylethanone (CID 125023556) is 2-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-1-morpholin-4-ylethanone is Cc1cccc(C[C@@H]2CCCN(CC(=O)N3CCOCC3)C2)n1.
What is the InChIKey of 2-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is YZBSIWDKCGWYOS-INIZCTEOSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-15-4-2-6-17(19-15)12-16-5-3-7-20(13-16)14-18(22)21-8-10-23-11-9-21/h2,4,6,16H,3,5,7-14H2,1H3/t16-/m0/s1.
What are the key properties of 2-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-1-morpholin-4-ylethanone?
2-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 317.43 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 125023556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).