4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)benzamide

C15H21N3O2 — CID 120815235

IUPAC4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)benzamide
SMILESCC1(C)CN(C(=O)c2ccc(C(N)=O)cc2)CCC1N
InChIInChI=1S/C15H21N3O2/c1-15(2)9-18(8-7-12(15)16)14(20)11-5-3-10(4-6-11)13(17)19/h3-6,12H,7-9,16H2,1-2H3,(H2,17,19)
InChIKeyVATMTXMTMDIIKV-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.98
Rot. Bonds2

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

4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)benzamide (PubChem CID 120815235) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)benzamide.

Molecular Properties

Compound Name4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)benzamide
PubChem CID120815235
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)benzamide
SMILESCC1(C)CN(C(=O)c2ccc(C(N)=O)cc2)CCC1N
InChIInChI=1S/C15H21N3O2/c1-15(2)9-18(8-7-12(15)16)14(20)11-5-3-10(4-6-11)13(17)19/h3-6,12H,7-9,16H2,1-2H3,(H2,17,19)
InChIKeyVATMTXMTMDIIKV-UHFFFAOYSA-N
XLogP0.98
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenoxy]benzamide
CID 120816522
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)-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)-(4-pentoxyphenyl)methanone
CID 120814614
(4-amino-3,3-dimethylpiperidin-1-yl)-[4-(4-ethylpiperazin-1-yl)phenyl]methanone;dihydrochloride
CID 120819644
(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)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 120816284
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dichlorophenyl)methanone;hydrochloride
CID 120816240

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)benzamide?
The IUPAC name of 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)benzamide (CID 120815235) is 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)benzamide.
What is the SMILES notation for 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)benzamide?
The canonical SMILES for 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)benzamide is CC1(C)CN(C(=O)c2ccc(C(N)=O)cc2)CCC1N.
What is the InChIKey of 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)benzamide?
The InChIKey is VATMTXMTMDIIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(2)9-18(8-7-12(15)16)14(20)11-5-3-10(4-6-11)13(17)19/h3-6,12H,7-9,16H2,1-2H3,(H2,17,19).
What are the key properties of 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)benzamide?
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)benzamide has a molecular weight of 275.35 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)benzamide is sourced from PubChem (CID 120815235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).