[5-chloro-6-[(4-propan-2-yloxyphenyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone

C21H26ClN3O2 — CID 133270903

IUPAC[5-chloro-6-[(4-propan-2-yloxyphenyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCC(C)Oc1ccc(CNc2ncc(C(=O)N3CCCCC3)cc2Cl)cc1
InChIInChI=1S/C21H26ClN3O2/c1-15(2)27-18-8-6-16(7-9-18)13-23-20-19(22)12-17(14-24-20)21(26)25-10-4-3-5-11-25/h6-9,12,14-15H,3-5,10-11,13H2,1-2H3,(H,23,24)
InChIKeyGBTDRZAUJOKQBH-UHFFFAOYSA-N
MW387.91 g/mol
LogP4.76
Rot. Bonds6

About [5-chloro-6-[(4-propan-2-yloxyphenyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone

[5-chloro-6-[(4-propan-2-yloxyphenyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 133270903) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is [5-chloro-6-[(4-propan-2-yloxyphenyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[(4-propan-2-yloxyphenyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID133270903
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name[5-chloro-6-[(4-propan-2-yloxyphenyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCC(C)Oc1ccc(CNc2ncc(C(=O)N3CCCCC3)cc2Cl)cc1
InChIInChI=1S/C21H26ClN3O2/c1-15(2)27-18-8-6-16(7-9-18)13-23-20-19(22)12-17(14-24-20)21(26)25-10-4-3-5-11-25/h6-9,12,14-15H,3-5,10-11,13H2,1-2H3,(H,23,24)
InChIKeyGBTDRZAUJOKQBH-UHFFFAOYSA-N
XLogP4.76
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-chloro-6-[(4-propan-2-yloxyphenyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

[5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270998
[5-chloro-6-(thiophen-3-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270974
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-[(1-ethylpyrazol-4-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 138999240
[5-chloro-6-[(4-methylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 75417189
[5-chloro-6-(2-ethoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271024
[5-chloro-6-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271056
[5-chloro-6-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 56587234
[5-chloro-6-[(6-methyl-2-pyridinyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271116
[5-chloro-6-[(5-chloro-2-methoxyphenyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271011
[5-chloro-6-[(2-methyl-3-piperidin-1-ylpropyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 56587654

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[(4-propan-2-yloxyphenyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-chloro-6-[(4-propan-2-yloxyphenyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone (CID 133270903) is [5-chloro-6-[(4-propan-2-yloxyphenyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-chloro-6-[(4-propan-2-yloxyphenyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-chloro-6-[(4-propan-2-yloxyphenyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone is CC(C)Oc1ccc(CNc2ncc(C(=O)N3CCCCC3)cc2Cl)cc1.
What is the InChIKey of [5-chloro-6-[(4-propan-2-yloxyphenyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is GBTDRZAUJOKQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-15(2)27-18-8-6-16(7-9-18)13-23-20-19(22)12-17(14-24-20)21(26)25-10-4-3-5-11-25/h6-9,12,14-15H,3-5,10-11,13H2,1-2H3,(H,23,24).
What are the key properties of [5-chloro-6-[(4-propan-2-yloxyphenyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
[5-chloro-6-[(4-propan-2-yloxyphenyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 387.91 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[(4-propan-2-yloxyphenyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 133270903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).