[4-(difluoromethoxy)phenyl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone

C17H23F2NO3 — CID 70775695

IUPAC[4-(difluoromethoxy)phenyl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone
SMILESCOCCCC1CCCN(C(=O)c2ccc(OC(F)F)cc2)C1
InChIInChI=1S/C17H23F2NO3/c1-22-11-3-5-13-4-2-10-20(12-13)16(21)14-6-8-15(9-7-14)23-17(18)19/h6-9,13,17H,2-5,10-12H2,1H3
InChIKeyQKJYWVGJOFIMTJ-UHFFFAOYSA-N
MW327.37 g/mol
LogP3.57
Rot. Bonds7

About [4-(difluoromethoxy)phenyl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone

[4-(difluoromethoxy)phenyl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone (PubChem CID 70775695) has the molecular formula C17H23F2NO3 and a molecular weight of 327.37 g/mol. Its IUPAC name is [4-(difluoromethoxy)phenyl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(difluoromethoxy)phenyl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone
PubChem CID70775695
Molecular FormulaC17H23F2NO3
Molecular Weight327.37 g/mol
Exact Mass327.16
IUPAC Name[4-(difluoromethoxy)phenyl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone
SMILESCOCCCC1CCCN(C(=O)c2ccc(OC(F)F)cc2)C1
InChIInChI=1S/C17H23F2NO3/c1-22-11-3-5-13-4-2-10-20(12-13)16(21)14-6-8-15(9-7-14)23-17(18)19/h6-9,13,17H,2-5,10-12H2,1H3
InChIKeyQKJYWVGJOFIMTJ-UHFFFAOYSA-N
XLogP3.57
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-chloro-4-fluorophenyl)-[3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 70783009
[3-(aminomethyl)pyrrolidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone;hydrochloride
CID 119483399
(5-fluoro-2-methylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 96572024
[4-(2-methoxyethoxy)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119396826
(2-methoxy-6-methylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97117578
N-cyclopropyl-3-[(3S)-1-(4-propan-2-yloxybenzoyl)piperidin-3-yl]propanamide
CID 42308218
[3-(2-chloroethyl)pyrrolidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 114801057
2-[1-[4-(difluoromethoxy)benzoyl]azetidin-3-yl]acetic acid
CID 64605420
[3-(methoxymethyl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 90504931
(2-ethylpyrazol-3-yl)-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97134062
[4-(difluoromethoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63251080
[2-(4-fluorophenyl)phenyl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 70713781

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)phenyl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone?
The IUPAC name of [4-(difluoromethoxy)phenyl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone (CID 70775695) is [4-(difluoromethoxy)phenyl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(difluoromethoxy)phenyl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(difluoromethoxy)phenyl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone is COCCCC1CCCN(C(=O)c2ccc(OC(F)F)cc2)C1.
What is the InChIKey of [4-(difluoromethoxy)phenyl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone?
The InChIKey is QKJYWVGJOFIMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2NO3/c1-22-11-3-5-13-4-2-10-20(12-13)16(21)14-6-8-15(9-7-14)23-17(18)19/h6-9,13,17H,2-5,10-12H2,1H3.
What are the key properties of [4-(difluoromethoxy)phenyl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone?
[4-(difluoromethoxy)phenyl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone has a molecular weight of 327.37 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)phenyl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone is sourced from PubChem (CID 70775695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).