(1Z)-5-phenylmethoxy-1-piperidin-2-ylidenepentan-2-one

C17H23NO2 — CID 72722465

IUPAC(1Z)-5-phenylmethoxy-1-piperidin-2-ylidenepentan-2-one
SMILESO=C(/C=C1/CCCCN1)CCCOCc1ccccc1
InChIInChI=1S/C17H23NO2/c19-17(13-16-9-4-5-11-18-16)10-6-12-20-14-15-7-2-1-3-8-15/h1-3,7-8,13,18H,4-6,9-12,14H2/b16-13-
InChIKeyMHBYCBGTXWAOGL-SSZFMOIBSA-N
MW273.38 g/mol
LogP3.21
Rot. Bonds7

About (1Z)-5-phenylmethoxy-1-piperidin-2-ylidenepentan-2-one

(1Z)-5-phenylmethoxy-1-piperidin-2-ylidenepentan-2-one (PubChem CID 72722465) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (1Z)-5-phenylmethoxy-1-piperidin-2-ylidenepentan-2-one.

Molecular Properties

Compound Name(1Z)-5-phenylmethoxy-1-piperidin-2-ylidenepentan-2-one
PubChem CID72722465
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(1Z)-5-phenylmethoxy-1-piperidin-2-ylidenepentan-2-one
SMILESO=C(/C=C1/CCCCN1)CCCOCc1ccccc1
InChIInChI=1S/C17H23NO2/c19-17(13-16-9-4-5-11-18-16)10-6-12-20-14-15-7-2-1-3-8-15/h1-3,7-8,13,18H,4-6,9-12,14H2/b16-13-
InChIKeyMHBYCBGTXWAOGL-SSZFMOIBSA-N
XLogP3.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-oxo-5-phenylmethoxypentanal
CID 166844444
N-benzyl-4-phenylmethoxybutanamide
CID 15396752
4-(2-phenylmethoxyethoxy)butanoic acid
CID 155072083
oxan-2-one;5-phenylmethoxypentanoic acid
CID 159909942
N-[3-(diethylamino)-3-oxopropyl]-4-phenylmethoxybutanamide
CID 49381134
chloro 4-phenylmethoxybutanoate
CID 143253301
2-(4-phenylmethoxybutanoylamino)pyridine-3-carboxylic acid
CID 23151222
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-phenylmethoxyhexanamide
CID 102329033
(2R)-3-phenyl-2-(4-phenylmethoxybutanoylamino)propanoic acid
CID 119366917
3-phenyl-2-(4-phenylmethoxybutanoylamino)propanoic acid
CID 119165871
(3R)-3-(3-phenylmethoxypropyl)piperidin-2-one
CID 118421052
2-oxo-2-(3-phenylmethoxypropoxy)acetic acid
CID 90995825

Frequently Asked Questions

What is the IUPAC name of (1Z)-5-phenylmethoxy-1-piperidin-2-ylidenepentan-2-one?
The IUPAC name of (1Z)-5-phenylmethoxy-1-piperidin-2-ylidenepentan-2-one (CID 72722465) is (1Z)-5-phenylmethoxy-1-piperidin-2-ylidenepentan-2-one.
What is the SMILES notation for (1Z)-5-phenylmethoxy-1-piperidin-2-ylidenepentan-2-one?
The canonical SMILES for (1Z)-5-phenylmethoxy-1-piperidin-2-ylidenepentan-2-one is O=C(/C=C1/CCCCN1)CCCOCc1ccccc1.
What is the InChIKey of (1Z)-5-phenylmethoxy-1-piperidin-2-ylidenepentan-2-one?
The InChIKey is MHBYCBGTXWAOGL-SSZFMOIBSA-N. The full InChI is InChI=1S/C17H23NO2/c19-17(13-16-9-4-5-11-18-16)10-6-12-20-14-15-7-2-1-3-8-15/h1-3,7-8,13,18H,4-6,9-12,14H2/b16-13-.
What are the key properties of (1Z)-5-phenylmethoxy-1-piperidin-2-ylidenepentan-2-one?
(1Z)-5-phenylmethoxy-1-piperidin-2-ylidenepentan-2-one has a molecular weight of 273.38 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-5-phenylmethoxy-1-piperidin-2-ylidenepentan-2-one is sourced from PubChem (CID 72722465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).