[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]piperidin-1-yl]-(4-ethoxyphenyl)methanone

C20H28N2O3 — CID 129403111

IUPAC[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]piperidin-1-yl]-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCC(NC[C@H]3CCC=CO3)CC2)cc1
InChIInChI=1S/C20H28N2O3/c1-2-24-18-8-6-16(7-9-18)20(23)22-12-10-17(11-13-22)21-15-19-5-3-4-14-25-19/h4,6-9,14,17,19,21H,2-3,5,10-13,15H2,1H3/t19-/m1/s1
InChIKeyAEPZBRIHSCMCLL-LJQANCHMSA-N
MW344.46 g/mol
LogP2.97
Rot. Bonds6

About [4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]piperidin-1-yl]-(4-ethoxyphenyl)methanone

[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]piperidin-1-yl]-(4-ethoxyphenyl)methanone (PubChem CID 129403111) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is [4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]piperidin-1-yl]-(4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]piperidin-1-yl]-(4-ethoxyphenyl)methanone
PubChem CID129403111
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]piperidin-1-yl]-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCC(NC[C@H]3CCC=CO3)CC2)cc1
InChIInChI=1S/C20H28N2O3/c1-2-24-18-8-6-16(7-9-18)20(23)22-12-10-17(11-13-22)21-15-19-5-3-4-14-25-19/h4,6-9,14,17,19,21H,2-3,5,10-13,15H2,1H3/t19-/m1/s1
InChIKeyAEPZBRIHSCMCLL-LJQANCHMSA-N
XLogP2.97
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]piperidin-1-yl]-(4-ethoxyphenyl)methanone 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

[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethoxyphenyl)methanone;hydrochloride
CID 119624568
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
4-ethoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108551846
4-ethoxy-N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]benzamide
CID 108551873
(4-ethoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 55168284
(4-ethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261765
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-methylbenzenesulfonamide
CID 17497600
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-methyloxolane-3-carboxamide
CID 136534437
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]quinoline-4-carboxamide
CID 112804091
3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156494
(3-aminopyrrolidin-1-yl)-(4-ethoxyphenyl)methanone
CID 62068283
2-(4-ethoxyphenyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 108561343

Frequently Asked Questions

What is the IUPAC name of [4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]piperidin-1-yl]-(4-ethoxyphenyl)methanone?
The IUPAC name of [4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]piperidin-1-yl]-(4-ethoxyphenyl)methanone (CID 129403111) is [4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]piperidin-1-yl]-(4-ethoxyphenyl)methanone.
What is the SMILES notation for [4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]piperidin-1-yl]-(4-ethoxyphenyl)methanone?
The canonical SMILES for [4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]piperidin-1-yl]-(4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)N2CCC(NC[C@H]3CCC=CO3)CC2)cc1.
What is the InChIKey of [4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]piperidin-1-yl]-(4-ethoxyphenyl)methanone?
The InChIKey is AEPZBRIHSCMCLL-LJQANCHMSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-2-24-18-8-6-16(7-9-18)20(23)22-12-10-17(11-13-22)21-15-19-5-3-4-14-25-19/h4,6-9,14,17,19,21H,2-3,5,10-13,15H2,1H3/t19-/m1/s1.
What are the key properties of [4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]piperidin-1-yl]-(4-ethoxyphenyl)methanone?
[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]piperidin-1-yl]-(4-ethoxyphenyl)methanone has a molecular weight of 344.46 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]piperidin-1-yl]-(4-ethoxyphenyl)methanone is sourced from PubChem (CID 129403111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).