(2,2-diethylmorpholin-4-yl)-[4-[[(3S)-piperidin-3-yl]methyl]phenyl]methanone

C21H32N2O2 — CID 95722792

IUPAC(2,2-diethylmorpholin-4-yl)-[4-[[(3S)-piperidin-3-yl]methyl]phenyl]methanone
SMILESCCC1(CC)CN(C(=O)c2ccc(C[C@@H]3CCCNC3)cc2)CCO1
InChIInChI=1S/C21H32N2O2/c1-3-21(4-2)16-23(12-13-25-21)20(24)19-9-7-17(8-10-19)14-18-6-5-11-22-15-18/h7-10,18,22H,3-6,11-16H2,1-2H3/t18-/m0/s1
InChIKeyROLUIQHKTWYCJH-SFHVURJKSA-N
MW344.50 g/mol
LogP3.26
Rot. Bonds5

About (2,2-diethylmorpholin-4-yl)-[4-[[(3S)-piperidin-3-yl]methyl]phenyl]methanone

(2,2-diethylmorpholin-4-yl)-[4-[[(3S)-piperidin-3-yl]methyl]phenyl]methanone (PubChem CID 95722792) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is (2,2-diethylmorpholin-4-yl)-[4-[[(3S)-piperidin-3-yl]methyl]phenyl]methanone.

Molecular Properties

Compound Name(2,2-diethylmorpholin-4-yl)-[4-[[(3S)-piperidin-3-yl]methyl]phenyl]methanone
PubChem CID95722792
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name(2,2-diethylmorpholin-4-yl)-[4-[[(3S)-piperidin-3-yl]methyl]phenyl]methanone
SMILESCCC1(CC)CN(C(=O)c2ccc(C[C@@H]3CCCNC3)cc2)CCO1
InChIInChI=1S/C21H32N2O2/c1-3-21(4-2)16-23(12-13-25-21)20(24)19-9-7-17(8-10-19)14-18-6-5-11-22-15-18/h7-10,18,22H,3-6,11-16H2,1-2H3/t18-/m0/s1
InChIKeyROLUIQHKTWYCJH-SFHVURJKSA-N
XLogP3.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2,2-diethylmorpholin-4-yl)-[4-[[(3S)-piperidin-3-yl]methyl]phenyl]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-methyl-1,4-diazepan-1-yl)-[4-(piperidin-3-ylmethyl)phenyl]methanone
CID 56887195
1-cyclopentyl-4-[4-[[(3R)-piperidin-3-yl]methyl]benzoyl]piperazin-2-one
CID 95722482
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-[[(3S)-piperidin-3-yl]methyl]phenyl]methanone
CID 95711804
methyl 4-(piperidin-3-ylmethyl)benzoate
CID 45074031
[4-(1H-imidazol-2-yl)piperidin-1-yl]-[4-(piperidin-3-ylmethyl)phenyl]methanone;dihydrochloride
CID 154893197
3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[4-(pyrrolidin-3-ylmethyl)phenyl]methanone
CID 166613267
1-oxa-4,9-diazaspiro[5.5]undecan-4-yl-[3-(pyrrolidin-3-ylmethyl)phenyl]methanone;dihydrochloride
CID 171325750
morpholin-4-yl-[4-(piperidin-4-ylmethyl)phenyl]methanone;hydrochloride
CID 18539099
dimethyl (1S,5R)-3-[4-(pyrrolidin-3-ylmethyl)benzoyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylate;hydrochloride
CID 171711060
1-benzoyl-3-methyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide
CID 119557726
N,N-diethyl-4-(piperidin-3-ylmethyl)aniline
CID 117368943
N-(furan-3-ylmethyl)-N-methyl-4-[[(3S)-piperidin-3-yl]methyl]benzamide
CID 95724985

Frequently Asked Questions

What is the IUPAC name of (2,2-diethylmorpholin-4-yl)-[4-[[(3S)-piperidin-3-yl]methyl]phenyl]methanone?
The IUPAC name of (2,2-diethylmorpholin-4-yl)-[4-[[(3S)-piperidin-3-yl]methyl]phenyl]methanone (CID 95722792) is (2,2-diethylmorpholin-4-yl)-[4-[[(3S)-piperidin-3-yl]methyl]phenyl]methanone.
What is the SMILES notation for (2,2-diethylmorpholin-4-yl)-[4-[[(3S)-piperidin-3-yl]methyl]phenyl]methanone?
The canonical SMILES for (2,2-diethylmorpholin-4-yl)-[4-[[(3S)-piperidin-3-yl]methyl]phenyl]methanone is CCC1(CC)CN(C(=O)c2ccc(C[C@@H]3CCCNC3)cc2)CCO1.
What is the InChIKey of (2,2-diethylmorpholin-4-yl)-[4-[[(3S)-piperidin-3-yl]methyl]phenyl]methanone?
The InChIKey is ROLUIQHKTWYCJH-SFHVURJKSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-3-21(4-2)16-23(12-13-25-21)20(24)19-9-7-17(8-10-19)14-18-6-5-11-22-15-18/h7-10,18,22H,3-6,11-16H2,1-2H3/t18-/m0/s1.
What are the key properties of (2,2-diethylmorpholin-4-yl)-[4-[[(3S)-piperidin-3-yl]methyl]phenyl]methanone?
(2,2-diethylmorpholin-4-yl)-[4-[[(3S)-piperidin-3-yl]methyl]phenyl]methanone has a molecular weight of 344.50 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-diethylmorpholin-4-yl)-[4-[[(3S)-piperidin-3-yl]methyl]phenyl]methanone is sourced from PubChem (CID 95722792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).