(4-methoxy-3-morpholin-4-ylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone

C21H32N2O4 — CID 97113189

IUPAC(4-methoxy-3-morpholin-4-ylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone
SMILESCOCCC[C@@H]1CCCCN1C(=O)c1ccc(OC)c(N2CCOCC2)c1
InChIInChI=1S/C21H32N2O4/c1-25-13-5-7-18-6-3-4-10-23(18)21(24)17-8-9-20(26-2)19(16-17)22-11-14-27-15-12-22/h8-9,16,18H,3-7,10-15H2,1-2H3/t18-/m0/s1
InChIKeyLCLFXGXGUANGED-SFHVURJKSA-N
MW376.50 g/mol
LogP2.95
Rot. Bonds7

About (4-methoxy-3-morpholin-4-ylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone

(4-methoxy-3-morpholin-4-ylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone (PubChem CID 97113189) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is (4-methoxy-3-morpholin-4-ylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxy-3-morpholin-4-ylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone
PubChem CID97113189
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Name(4-methoxy-3-morpholin-4-ylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone
SMILESCOCCC[C@@H]1CCCCN1C(=O)c1ccc(OC)c(N2CCOCC2)c1
InChIInChI=1S/C21H32N2O4/c1-25-13-5-7-18-6-3-4-10-23(18)21(24)17-8-9-20(26-2)19(16-17)22-11-14-27-15-12-22/h8-9,16,18H,3-7,10-15H2,1-2H3/t18-/m0/s1
InChIKeyLCLFXGXGUANGED-SFHVURJKSA-N
XLogP2.95
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,1,3-benzoxadiazol-5-yl-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97147736
[4-(4-methoxyphenoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 131946602
(3-fluoro-4-methylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 96575750
[2-(2-chloroethyl)piperidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 63393532
(3,4-dimethoxyphenyl)-[(2R)-2-(morpholin-4-ylmethyl)azepan-1-yl]methanone
CID 164638183
[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 96579719
(3,4-dimethoxyphenyl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 53193381
(3-amino-4-methoxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83052501
(3-methyl-4-morpholin-4-ylphenyl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
CID 131914126
4-methoxy-3-morpholin-4-yl-N-[4-(oxolan-2-yl)butyl]benzamide
CID 135104850
7-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-3-methylquinazolin-4-one
CID 97144465
[2-(3-aminopropyl)pyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 63766326

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-morpholin-4-ylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone?
The IUPAC name of (4-methoxy-3-morpholin-4-ylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone (CID 97113189) is (4-methoxy-3-morpholin-4-ylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-methoxy-3-morpholin-4-ylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-methoxy-3-morpholin-4-ylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone is COCCC[C@@H]1CCCCN1C(=O)c1ccc(OC)c(N2CCOCC2)c1.
What is the InChIKey of (4-methoxy-3-morpholin-4-ylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone?
The InChIKey is LCLFXGXGUANGED-SFHVURJKSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-25-13-5-7-18-6-3-4-10-23(18)21(24)17-8-9-20(26-2)19(16-17)22-11-14-27-15-12-22/h8-9,16,18H,3-7,10-15H2,1-2H3/t18-/m0/s1.
What are the key properties of (4-methoxy-3-morpholin-4-ylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone?
(4-methoxy-3-morpholin-4-ylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone has a molecular weight of 376.50 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-morpholin-4-ylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone is sourced from PubChem (CID 97113189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).