[5-chloro-6-(2-phenoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone

C19H22ClN3O2 — CID 133270733

IUPAC[5-chloro-6-(2-phenoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1cnc(NCCOc2ccccc2)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C19H22ClN3O2/c20-17-13-15(19(24)23-10-5-2-6-11-23)14-22-18(17)21-9-12-25-16-7-3-1-4-8-16/h1,3-4,7-8,13-14H,2,5-6,9-12H2,(H,21,22)
InChIKeySUWUYXMSHNOPNI-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.85
Rot. Bonds6

About [5-chloro-6-(2-phenoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone

[5-chloro-6-(2-phenoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 133270733) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is [5-chloro-6-(2-phenoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-(2-phenoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID133270733
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name[5-chloro-6-(2-phenoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1cnc(NCCOc2ccccc2)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C19H22ClN3O2/c20-17-13-15(19(24)23-10-5-2-6-11-23)14-22-18(17)21-9-12-25-16-7-3-1-4-8-16/h1,3-4,7-8,13-14H,2,5-6,9-12H2,(H,21,22)
InChIKeySUWUYXMSHNOPNI-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
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

[5-chloro-6-(2-ethoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271024
azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone
CID 62173335
[5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 60561390
[5-chloro-6-[2-(furan-2-yl)ethylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270752
N-[2-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]ethyl]pyridine-3-carboxamide
CID 60561707
N-benzyl-3-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-N-methylpropanamide
CID 56555861
[5-chloro-6-[(6-methyl-2-pyridinyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271116
[5-chloro-6-[(4-propan-2-yloxyphenyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270903
[5-chloro-6-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133346754
[5-chloro-6-[(2-methyl-3-piperidin-1-ylpropyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 56587654
[5-chloro-6-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133399112
[5-chloro-6-(thiophen-3-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270974

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(2-phenoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-chloro-6-(2-phenoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone (CID 133270733) is [5-chloro-6-(2-phenoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-chloro-6-(2-phenoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-chloro-6-(2-phenoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone is O=C(c1cnc(NCCOc2ccccc2)c(Cl)c1)N1CCCCC1.
What is the InChIKey of [5-chloro-6-(2-phenoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is SUWUYXMSHNOPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c20-17-13-15(19(24)23-10-5-2-6-11-23)14-22-18(17)21-9-12-25-16-7-3-1-4-8-16/h1,3-4,7-8,13-14H,2,5-6,9-12H2,(H,21,22).
What are the key properties of [5-chloro-6-(2-phenoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone?
[5-chloro-6-(2-phenoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 359.86 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(2-phenoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 133270733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).