4-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenoxy]benzamide

C21H25N3O3 — CID 120816522

IUPAC4-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenoxy]benzamide
SMILESCC1(C)CN(C(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)CCC1N
InChIInChI=1S/C21H25N3O3/c1-21(2)13-24(12-11-18(21)22)20(26)15-5-9-17(10-6-15)27-16-7-3-14(4-8-16)19(23)25/h3-10,18H,11-13,22H2,1-2H3,(H2,23,25)
InChIKeyRJLQLLBDNCPFNF-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.78
Rot. Bonds4

About 4-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenoxy]benzamide

4-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenoxy]benzamide (PubChem CID 120816522) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenoxy]benzamide
PubChem CID120816522
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name4-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenoxy]benzamide
SMILESCC1(C)CN(C(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)CCC1N
InChIInChI=1S/C21H25N3O3/c1-21(2)13-24(12-11-18(21)22)20(26)15-5-9-17(10-6-15)27-16-7-3-14(4-8-16)19(23)25/h3-10,18H,11-13,22H2,1-2H3,(H2,23,25)
InChIKeyRJLQLLBDNCPFNF-UHFFFAOYSA-N
XLogP2.78
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)benzamide
CID 120815235
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone
CID 120817657
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone;hydrochloride
CID 120817656
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-pentoxyphenyl)methanone
CID 120814614
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,4-difluorophenyl)methanone;hydrochloride
CID 120814455
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone;hydrochloride
CID 120814617
(4-amino-3,3-dimethylpiperidin-1-yl)-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone;hydrochloride
CID 120814399
(4-amino-3,3-dimethylpiperidin-1-yl)-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone;dihydrochloride
CID 120817158
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone;hydrochloride
CID 120820264
(4-amino-3,3-dimethylpiperidin-1-yl)-[4-(4-ethylpiperazin-1-yl)phenyl]methanone;dihydrochloride
CID 120819644
(4-amino-3,3-dimethylpiperidin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 120816284

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenoxy]benzamide?
The IUPAC name of 4-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenoxy]benzamide (CID 120816522) is 4-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenoxy]benzamide.
What is the SMILES notation for 4-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenoxy]benzamide?
The canonical SMILES for 4-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenoxy]benzamide is CC1(C)CN(C(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)CCC1N.
What is the InChIKey of 4-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenoxy]benzamide?
The InChIKey is RJLQLLBDNCPFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-21(2)13-24(12-11-18(21)22)20(26)15-5-9-17(10-6-15)27-16-7-3-14(4-8-16)19(23)25/h3-10,18H,11-13,22H2,1-2H3,(H2,23,25).
What are the key properties of 4-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenoxy]benzamide?
4-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenoxy]benzamide has a molecular weight of 367.45 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenoxy]benzamide is sourced from PubChem (CID 120816522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).