[4-[2-(2-chlorophenoxy)ethylamino]piperidin-1-yl]-pyridin-3-ylmethanone

C19H22ClN3O2 — CID 56715372

IUPAC[4-[2-(2-chlorophenoxy)ethylamino]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC(NCCOc2ccccc2Cl)CC1
InChIInChI=1S/C19H22ClN3O2/c20-17-5-1-2-6-18(17)25-13-10-22-16-7-11-23(12-8-16)19(24)15-4-3-9-21-14-15/h1-6,9,14,16,22H,7-8,10-13H2
InChIKeyPIEKZZHDBCNFRK-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.01
Rot. Bonds6

About [4-[2-(2-chlorophenoxy)ethylamino]piperidin-1-yl]-pyridin-3-ylmethanone

[4-[2-(2-chlorophenoxy)ethylamino]piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 56715372) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is [4-[2-(2-chlorophenoxy)ethylamino]piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-[2-(2-chlorophenoxy)ethylamino]piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID56715372
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name[4-[2-(2-chlorophenoxy)ethylamino]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC(NCCOc2ccccc2Cl)CC1
InChIInChI=1S/C19H22ClN3O2/c20-17-5-1-2-6-18(17)25-13-10-22-16-7-11-23(12-8-16)19(24)15-4-3-9-21-14-15/h1-6,9,14,16,22H,7-8,10-13H2
InChIKeyPIEKZZHDBCNFRK-UHFFFAOYSA-N
XLogP3.01
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.01
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

4-(2-chlorophenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 49387753
2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108563315
N-[1-(2-chlorobenzoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797182
(2-chlorophenyl)-[4-[2-[(3-fluoro-2-pyridinyl)oxy]ethylamino]piperidin-1-yl]methanone
CID 167794895
2,6-dimethoxy-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]benzamide
CID 108549740
2-(2-ethylphenoxy)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108557029
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]pyrazine-2-carboxamide
CID 108557401
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
4-(2-chlorophenoxy)-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]butanamide
CID 108553708
2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]propanamide
CID 108563311
[4-[(cyclopropylamino)methyl]-4-hydroxypiperidin-1-yl]-pyridin-3-ylmethanone
CID 39374438
2,2-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108549584

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-chlorophenoxy)ethylamino]piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-[2-(2-chlorophenoxy)ethylamino]piperidin-1-yl]-pyridin-3-ylmethanone (CID 56715372) is [4-[2-(2-chlorophenoxy)ethylamino]piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-[2-(2-chlorophenoxy)ethylamino]piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-[2-(2-chlorophenoxy)ethylamino]piperidin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCC(NCCOc2ccccc2Cl)CC1.
What is the InChIKey of [4-[2-(2-chlorophenoxy)ethylamino]piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is PIEKZZHDBCNFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c20-17-5-1-2-6-18(17)25-13-10-22-16-7-11-23(12-8-16)19(24)15-4-3-9-21-14-15/h1-6,9,14,16,22H,7-8,10-13H2.
What are the key properties of [4-[2-(2-chlorophenoxy)ethylamino]piperidin-1-yl]-pyridin-3-ylmethanone?
[4-[2-(2-chlorophenoxy)ethylamino]piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 359.86 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-chlorophenoxy)ethylamino]piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 56715372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).