(2-chlorophenyl)-[4-[2-[(3-fluoro-2-pyridinyl)oxy]ethylamino]piperidin-1-yl]methanone

C19H21ClFN3O2 — CID 167794895

IUPAC(2-chlorophenyl)-[4-[2-[(3-fluoro-2-pyridinyl)oxy]ethylamino]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCC(NCCOc2ncccc2F)CC1
InChIInChI=1S/C19H21ClFN3O2/c20-16-5-2-1-4-15(16)19(25)24-11-7-14(8-12-24)22-10-13-26-18-17(21)6-3-9-23-18/h1-6,9,14,22H,7-8,10-13H2
InChIKeyJLWBEWSKGDOZNV-UHFFFAOYSA-N
MW377.85 g/mol
LogP3.15
Rot. Bonds6

About (2-chlorophenyl)-[4-[2-[(3-fluoro-2-pyridinyl)oxy]ethylamino]piperidin-1-yl]methanone

(2-chlorophenyl)-[4-[2-[(3-fluoro-2-pyridinyl)oxy]ethylamino]piperidin-1-yl]methanone (PubChem CID 167794895) has the molecular formula C19H21ClFN3O2 and a molecular weight of 377.85 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-[2-[(3-fluoro-2-pyridinyl)oxy]ethylamino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[4-[2-[(3-fluoro-2-pyridinyl)oxy]ethylamino]piperidin-1-yl]methanone
PubChem CID167794895
Molecular FormulaC19H21ClFN3O2
Molecular Weight377.85 g/mol
Exact Mass377.13
IUPAC Name(2-chlorophenyl)-[4-[2-[(3-fluoro-2-pyridinyl)oxy]ethylamino]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCC(NCCOc2ncccc2F)CC1
InChIInChI=1S/C19H21ClFN3O2/c20-16-5-2-1-4-15(16)19(25)24-11-7-14(8-12-24)22-10-13-26-18-17(21)6-3-9-23-18/h1-6,9,14,22H,7-8,10-13H2
InChIKeyJLWBEWSKGDOZNV-UHFFFAOYSA-N
XLogP3.15
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]cyclopentanamine
CID 115750537
(2-chlorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81297532
[4-[2-(2-chlorophenoxy)ethylamino]piperidin-1-yl]-pyridin-3-ylmethanone
CID 56715372
(2-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728656
[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone;dihydrochloride
CID 119625204
N-[1-(2-chlorobenzoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797182
(2-fluorophenyl)-[4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]methanone
CID 119111056
2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108550866
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549660
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-phenoxypropanamide
CID 108554888
2,5-dichloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108554581
(2-chlorophenyl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone
CID 90380560

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[4-[2-[(3-fluoro-2-pyridinyl)oxy]ethylamino]piperidin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[4-[2-[(3-fluoro-2-pyridinyl)oxy]ethylamino]piperidin-1-yl]methanone (CID 167794895) is (2-chlorophenyl)-[4-[2-[(3-fluoro-2-pyridinyl)oxy]ethylamino]piperidin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[4-[2-[(3-fluoro-2-pyridinyl)oxy]ethylamino]piperidin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[4-[2-[(3-fluoro-2-pyridinyl)oxy]ethylamino]piperidin-1-yl]methanone is O=C(c1ccccc1Cl)N1CCC(NCCOc2ncccc2F)CC1.
What is the InChIKey of (2-chlorophenyl)-[4-[2-[(3-fluoro-2-pyridinyl)oxy]ethylamino]piperidin-1-yl]methanone?
The InChIKey is JLWBEWSKGDOZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O2/c20-16-5-2-1-4-15(16)19(25)24-11-7-14(8-12-24)22-10-13-26-18-17(21)6-3-9-23-18/h1-6,9,14,22H,7-8,10-13H2.
What are the key properties of (2-chlorophenyl)-[4-[2-[(3-fluoro-2-pyridinyl)oxy]ethylamino]piperidin-1-yl]methanone?
(2-chlorophenyl)-[4-[2-[(3-fluoro-2-pyridinyl)oxy]ethylamino]piperidin-1-yl]methanone has a molecular weight of 377.85 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[4-[2-[(3-fluoro-2-pyridinyl)oxy]ethylamino]piperidin-1-yl]methanone is sourced from PubChem (CID 167794895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).