[3-(butoxyamino)phenyl]-(1-methylpiperidin-4-yl)methanone

C17H26N2O2 — CID 87797066

IUPAC[3-(butoxyamino)phenyl]-(1-methylpiperidin-4-yl)methanone
SMILESCCCCONc1cccc(C(=O)C2CCN(C)CC2)c1
InChIInChI=1S/C17H26N2O2/c1-3-4-12-21-18-16-7-5-6-15(13-16)17(20)14-8-10-19(2)11-9-14/h5-7,13-14,18H,3-4,8-12H2,1-2H3
InChIKeyWRAQBOYBXABCAU-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.35
Rot. Bonds7

About [3-(butoxyamino)phenyl]-(1-methylpiperidin-4-yl)methanone

[3-(butoxyamino)phenyl]-(1-methylpiperidin-4-yl)methanone (PubChem CID 87797066) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is [3-(butoxyamino)phenyl]-(1-methylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[3-(butoxyamino)phenyl]-(1-methylpiperidin-4-yl)methanone
PubChem CID87797066
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name[3-(butoxyamino)phenyl]-(1-methylpiperidin-4-yl)methanone
SMILESCCCCONc1cccc(C(=O)C2CCN(C)CC2)c1
InChIInChI=1S/C17H26N2O2/c1-3-4-12-21-18-16-7-5-6-15(13-16)17(20)14-8-10-19(2)11-9-14/h5-7,13-14,18H,3-4,8-12H2,1-2H3
InChIKeyWRAQBOYBXABCAU-UHFFFAOYSA-N
XLogP3.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-hydroxy-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]propanamide;(2R)-2-hydroxy-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]propanamide
CID 160998989
1-methyl-3-[3-(1-methylpiperidine-4-carbonyl)phenyl]thiourea
CID 86759511
1-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(2,3,4,5-tetrafluorophenyl)urea;octanoic acid
CID 87796576
1-(aminomethyl)-3-[3-(1-methylpiperidine-4-carbonyl)phenyl]-1-phenylthiourea
CID 174366758
N-[3-(cyclopropanecarbonyl)phenyl]propane-1-sulfonamide
CID 112511038
1-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(3-phenylbutyl)urea
CID 69353611
N-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 69354989
(1-hexylpiperidin-4-yl)-phenylmethanone
CID 21135926
(1-heptylpiperidin-4-yl)-phenylmethanone
CID 72793584
[3-(2-fluoroanilino)phenyl]-(1-methylpiperidin-4-yl)methanone;(1-methylpiperidin-4-yl)-[3-[2-(trifluoromethoxy)anilino]phenyl]methanone
CID 162621763
(4-methylcyclohexyl)-(3-propoxyphenyl)methanone
CID 114975149
cyclopentyl-[3-(methylamino)phenyl]methanone
CID 116917362

Frequently Asked Questions

What is the IUPAC name of [3-(butoxyamino)phenyl]-(1-methylpiperidin-4-yl)methanone?
The IUPAC name of [3-(butoxyamino)phenyl]-(1-methylpiperidin-4-yl)methanone (CID 87797066) is [3-(butoxyamino)phenyl]-(1-methylpiperidin-4-yl)methanone.
What is the SMILES notation for [3-(butoxyamino)phenyl]-(1-methylpiperidin-4-yl)methanone?
The canonical SMILES for [3-(butoxyamino)phenyl]-(1-methylpiperidin-4-yl)methanone is CCCCONc1cccc(C(=O)C2CCN(C)CC2)c1.
What is the InChIKey of [3-(butoxyamino)phenyl]-(1-methylpiperidin-4-yl)methanone?
The InChIKey is WRAQBOYBXABCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-4-12-21-18-16-7-5-6-15(13-16)17(20)14-8-10-19(2)11-9-14/h5-7,13-14,18H,3-4,8-12H2,1-2H3.
What are the key properties of [3-(butoxyamino)phenyl]-(1-methylpiperidin-4-yl)methanone?
[3-(butoxyamino)phenyl]-(1-methylpiperidin-4-yl)methanone has a molecular weight of 290.41 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(butoxyamino)phenyl]-(1-methylpiperidin-4-yl)methanone is sourced from PubChem (CID 87797066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).