(3,5-diaminophenyl)-(3-propoxypiperidin-1-yl)methanone

C15H23N3O2 — CID 61168973

IUPAC(3,5-diaminophenyl)-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)c2cc(N)cc(N)c2)C1
InChIInChI=1S/C15H23N3O2/c1-2-6-20-14-4-3-5-18(10-14)15(19)11-7-12(16)9-13(17)8-11/h7-9,14H,2-6,10,16-17H2,1H3
InChIKeyZUICQJYBWROXQU-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.88
Rot. Bonds4

About (3,5-diaminophenyl)-(3-propoxypiperidin-1-yl)methanone

(3,5-diaminophenyl)-(3-propoxypiperidin-1-yl)methanone (PubChem CID 61168973) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (3,5-diaminophenyl)-(3-propoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-diaminophenyl)-(3-propoxypiperidin-1-yl)methanone
PubChem CID61168973
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(3,5-diaminophenyl)-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)c2cc(N)cc(N)c2)C1
InChIInChI=1S/C15H23N3O2/c1-2-6-20-14-4-3-5-18(10-14)15(19)11-7-12(16)9-13(17)8-11/h7-9,14H,2-6,10,16-17H2,1H3
InChIKeyZUICQJYBWROXQU-UHFFFAOYSA-N
XLogP1.88
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-3-methylphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61170146
(3-bromo-5-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 103826766
(5-bromothiophen-3-yl)-(3-propoxypiperidin-1-yl)methanone
CID 61171322
4-(3-propoxypiperidine-1-carbonyl)benzenecarbothioamide
CID 47827117
(4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029094
(4-bromophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029100
[4-(chloromethyl)phenyl]-(3-propoxypiperidin-1-yl)methanone
CID 61169758
(4-bromo-3-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 103872801
(2-amino-5-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 107074802
(3-aminophenyl)-(4-propoxyazepan-1-yl)methanone;hydrochloride
CID 119780021
(2-amino-4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61170144
(3-amino-5-ethoxyphenyl)-(3-methoxypiperidin-1-yl)methanone
CID 102955074

Frequently Asked Questions

What is the IUPAC name of (3,5-diaminophenyl)-(3-propoxypiperidin-1-yl)methanone?
The IUPAC name of (3,5-diaminophenyl)-(3-propoxypiperidin-1-yl)methanone (CID 61168973) is (3,5-diaminophenyl)-(3-propoxypiperidin-1-yl)methanone.
What is the SMILES notation for (3,5-diaminophenyl)-(3-propoxypiperidin-1-yl)methanone?
The canonical SMILES for (3,5-diaminophenyl)-(3-propoxypiperidin-1-yl)methanone is CCCOC1CCCN(C(=O)c2cc(N)cc(N)c2)C1.
What is the InChIKey of (3,5-diaminophenyl)-(3-propoxypiperidin-1-yl)methanone?
The InChIKey is ZUICQJYBWROXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-6-20-14-4-3-5-18(10-14)15(19)11-7-12(16)9-13(17)8-11/h7-9,14H,2-6,10,16-17H2,1H3.
What are the key properties of (3,5-diaminophenyl)-(3-propoxypiperidin-1-yl)methanone?
(3,5-diaminophenyl)-(3-propoxypiperidin-1-yl)methanone has a molecular weight of 277.37 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diaminophenyl)-(3-propoxypiperidin-1-yl)methanone is sourced from PubChem (CID 61168973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).