[(3S)-3-(methylamino)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone

C18H21N3O2 — CID 124574705

IUPAC[(3S)-3-(methylamino)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
SMILESCN[C@H]1CCCN(C(=O)c2cccc(Oc3ccncc3)c2)C1
InChIInChI=1S/C18H21N3O2/c1-19-15-5-3-11-21(13-15)18(22)14-4-2-6-17(12-14)23-16-7-9-20-10-8-16/h2,4,6-10,12,15,19H,3,5,11,13H2,1H3/t15-/m0/s1
InChIKeyABYPRJQYLBLSDF-HNNXBMFYSA-N
MW311.38 g/mol
LogP2.70
Rot. Bonds4

About [(3S)-3-(methylamino)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone

[(3S)-3-(methylamino)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone (PubChem CID 124574705) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is [(3S)-3-(methylamino)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone.

Molecular Properties

Compound Name[(3S)-3-(methylamino)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
PubChem CID124574705
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name[(3S)-3-(methylamino)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
SMILESCN[C@H]1CCCN(C(=O)c2cccc(Oc3ccncc3)c2)C1
InChIInChI=1S/C18H21N3O2/c1-19-15-5-3-11-21(13-15)18(22)14-4-2-6-17(12-14)23-16-7-9-20-10-8-16/h2,4,6-10,12,15,19H,3,5,11,13H2,1H3/t15-/m0/s1
InChIKeyABYPRJQYLBLSDF-HNNXBMFYSA-N
XLogP2.70
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone
CID 94475796
(3-bromophenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 94475878
[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenoxyphenyl)methanone
CID 96579127
N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzamide
CID 119493833
(4-phenoxyphenyl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 45178915
[(3R)-3-(methylamino)piperidin-1-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone
CID 124587828
[(3R)-3-(methylamino)pyrrolidin-1-yl]-[3-(trifluoromethoxy)phenyl]methanone
CID 172646307
[(2S)-2-(aminomethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
CID 125135136
[3-[(dimethylamino)methyl]phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 124575046
(4-phenoxyphenyl)-[1-(pyridine-3-carbonyl)piperidin-3-yl]methanone
CID 45205792
[3-(methylamino)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 119490146
(3aS,6aR)-2-(3-pyridin-4-yloxybenzoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120682107

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(methylamino)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone?
The IUPAC name of [(3S)-3-(methylamino)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone (CID 124574705) is [(3S)-3-(methylamino)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone.
What is the SMILES notation for [(3S)-3-(methylamino)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone?
The canonical SMILES for [(3S)-3-(methylamino)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone is CN[C@H]1CCCN(C(=O)c2cccc(Oc3ccncc3)c2)C1.
What is the InChIKey of [(3S)-3-(methylamino)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone?
The InChIKey is ABYPRJQYLBLSDF-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-19-15-5-3-11-21(13-15)18(22)14-4-2-6-17(12-14)23-16-7-9-20-10-8-16/h2,4,6-10,12,15,19H,3,5,11,13H2,1H3/t15-/m0/s1.
What are the key properties of [(3S)-3-(methylamino)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone?
[(3S)-3-(methylamino)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone has a molecular weight of 311.38 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(methylamino)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone is sourced from PubChem (CID 124574705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).