[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(4-phenoxy-2-pyridinyl)methanone

C19H23N3O2 — CID 124688855

IUPAC[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(4-phenoxy-2-pyridinyl)methanone
SMILESC[C@@H](N)[C@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccn2)C1
InChIInChI=1S/C19H23N3O2/c1-14(20)15-6-5-11-22(13-15)19(23)18-12-17(9-10-21-18)24-16-7-3-2-4-8-16/h2-4,7-10,12,14-15H,5-6,11,13,20H2,1H3/t14-,15+/m1/s1
InChIKeyXEGQZXUURDLTEA-CABCVRRESA-N
MW325.41 g/mol
LogP3.07
Rot. Bonds4

About [(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(4-phenoxy-2-pyridinyl)methanone

[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(4-phenoxy-2-pyridinyl)methanone (PubChem CID 124688855) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is [(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(4-phenoxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(4-phenoxy-2-pyridinyl)methanone
PubChem CID124688855
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(4-phenoxy-2-pyridinyl)methanone
SMILESC[C@@H](N)[C@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccn2)C1
InChIInChI=1S/C19H23N3O2/c1-14(20)15-6-5-11-22(13-15)19(23)18-12-17(9-10-21-18)24-16-7-3-2-4-8-16/h2-4,7-10,12,14-15H,5-6,11,13,20H2,1H3/t14-,15+/m1/s1
InChIKeyXEGQZXUURDLTEA-CABCVRRESA-N
XLogP3.07
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-phenoxy-2-pyridinyl)methanone
CID 124691951
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[4-(3-fluorophenoxy)phenyl]methanone
CID 125147181
2-[methyl-[1-(4-phenoxypyridine-2-carbonyl)azepan-4-yl]amino]acetic acid
CID 129008299
(2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-phenoxypropan-1-one
CID 124726818
[3-(1-aminoethyl)piperidin-1-yl]-(2-benzyl-1,3-thiazol-4-yl)methanone
CID 119593496
[3-(1-aminoethyl)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone;hydrochloride
CID 119593899
[3-(1-aminoethyl)piperidin-1-yl]-(thiadiazol-4-yl)methanone
CID 65216121
[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone
CID 124592102
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(4-phenoxy-2-pyridinyl)methanone;dihydrochloride
CID 120655650
[2-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenoxy-2-pyridinyl)methanone;dihydrochloride
CID 119650832
[3-(1-aminoethyl)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride
CID 119594677
(3S)-3-[(1R)-1-hydroxyethyl]-N-(3-phenoxyphenyl)piperidine-1-carboxamide
CID 97238064

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(4-phenoxy-2-pyridinyl)methanone?
The IUPAC name of [(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(4-phenoxy-2-pyridinyl)methanone (CID 124688855) is [(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(4-phenoxy-2-pyridinyl)methanone.
What is the SMILES notation for [(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(4-phenoxy-2-pyridinyl)methanone?
The canonical SMILES for [(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(4-phenoxy-2-pyridinyl)methanone is C[C@@H](N)[C@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccn2)C1.
What is the InChIKey of [(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(4-phenoxy-2-pyridinyl)methanone?
The InChIKey is XEGQZXUURDLTEA-CABCVRRESA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14(20)15-6-5-11-22(13-15)19(23)18-12-17(9-10-21-18)24-16-7-3-2-4-8-16/h2-4,7-10,12,14-15H,5-6,11,13,20H2,1H3/t14-,15+/m1/s1.
What are the key properties of [(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(4-phenoxy-2-pyridinyl)methanone?
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(4-phenoxy-2-pyridinyl)methanone has a molecular weight of 325.41 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(4-phenoxy-2-pyridinyl)methanone is sourced from PubChem (CID 124688855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).