[3-[[(2S)-hex-5-en-2-yl]amino]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone

C18H26N2O2 — CID 99854647

IUPAC[3-[[(2S)-hex-5-en-2-yl]amino]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESC=CCC[C@H](C)Nc1cccc(C(=O)N2CCC[C@H](O)C2)c1
InChIInChI=1S/C18H26N2O2/c1-3-4-7-14(2)19-16-9-5-8-15(12-16)18(22)20-11-6-10-17(21)13-20/h3,5,8-9,12,14,17,19,21H,1,4,6-7,10-11,13H2,2H3/t14-,17-/m0/s1
InChIKeyQXIGVFZSCKGNHO-YOEHRIQHSA-N
MW302.42 g/mol
LogP3.05
Rot. Bonds6

About [3-[[(2S)-hex-5-en-2-yl]amino]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone

[3-[[(2S)-hex-5-en-2-yl]amino]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone (PubChem CID 99854647) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is [3-[[(2S)-hex-5-en-2-yl]amino]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-[[(2S)-hex-5-en-2-yl]amino]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
PubChem CID99854647
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name[3-[[(2S)-hex-5-en-2-yl]amino]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESC=CCC[C@H](C)Nc1cccc(C(=O)N2CCC[C@H](O)C2)c1
InChIInChI=1S/C18H26N2O2/c1-3-4-7-14(2)19-16-9-5-8-15(12-16)18(22)20-11-6-10-17(21)13-20/h3,5,8-9,12,14,17,19,21H,1,4,6-7,10-11,13H2,2H3/t14-,17-/m0/s1
InChIKeyQXIGVFZSCKGNHO-YOEHRIQHSA-N
XLogP3.05
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]cyclobutanecarboxamide
CID 110930987
(3-hydroxypiperidin-1-yl)-[3-(2-thiophen-2-ylethylamino)phenyl]methanone
CID 86783784
(3-hydroxypiperidin-1-yl)-[3-(1,2-thiazol-4-ylmethylamino)phenyl]methanone
CID 146104522
(3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110868609
N-[3-(hex-5-en-2-ylamino)phenyl]cyclopropanecarboxamide
CID 104583828
[3-[(3-fluorophenyl)methylamino]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 95175600
(3-hydroxypiperidin-1-yl)-[3-(2-phenoxyethylamino)phenyl]methanone
CID 71978123
(3-hydroxypiperidin-1-yl)-[3-(thiophen-3-ylmethylamino)phenyl]methanone
CID 71968026
[3-[(2,3-difluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 111777953
N-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]propanamide
CID 111561910
(3-hydroxypiperidin-1-yl)-[3-[2-(2,2,2-trifluoroethoxy)ethylamino]phenyl]methanone
CID 71997949
N-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-4-(4-methoxyphenyl)butanamide
CID 97260298

Frequently Asked Questions

What is the IUPAC name of [3-[[(2S)-hex-5-en-2-yl]amino]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The IUPAC name of [3-[[(2S)-hex-5-en-2-yl]amino]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone (CID 99854647) is [3-[[(2S)-hex-5-en-2-yl]amino]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for [3-[[(2S)-hex-5-en-2-yl]amino]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for [3-[[(2S)-hex-5-en-2-yl]amino]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone is C=CCC[C@H](C)Nc1cccc(C(=O)N2CCC[C@H](O)C2)c1.
What is the InChIKey of [3-[[(2S)-hex-5-en-2-yl]amino]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The InChIKey is QXIGVFZSCKGNHO-YOEHRIQHSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-3-4-7-14(2)19-16-9-5-8-15(12-16)18(22)20-11-6-10-17(21)13-20/h3,5,8-9,12,14,17,19,21H,1,4,6-7,10-11,13H2,2H3/t14-,17-/m0/s1.
What are the key properties of [3-[[(2S)-hex-5-en-2-yl]amino]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone?
[3-[[(2S)-hex-5-en-2-yl]amino]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone has a molecular weight of 302.42 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(2S)-hex-5-en-2-yl]amino]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 99854647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).