N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-fluorophenyl]-2,2-dimethylpropanamide;hydrochloride

C19H29ClFN3O2 — CID 120818997

IUPACN-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-fluorophenyl]-2,2-dimethylpropanamide;hydrochloride
SMILESCC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N2CCC(N)C(C)(C)C2)c1.Cl
InChIInChI=1S/C19H28FN3O2.ClH/c1-18(2,3)17(25)22-12-6-7-14(20)13(10-12)16(24)23-9-8-15(21)19(4,5)11-23;/h6-7,10,15H,8-9,11,21H2,1-5H3,(H,22,25);1H
InChIKeySGMYSYULQVHCTD-UHFFFAOYSA-N
MW385.91 g/mol
LogP3.43
Rot. Bonds2

About N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-fluorophenyl]-2,2-dimethylpropanamide;hydrochloride

N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-fluorophenyl]-2,2-dimethylpropanamide;hydrochloride (PubChem CID 120818997) has the molecular formula C19H29ClFN3O2 and a molecular weight of 385.91 g/mol. Its IUPAC name is N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-fluorophenyl]-2,2-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-fluorophenyl]-2,2-dimethylpropanamide;hydrochloride
PubChem CID120818997
Molecular FormulaC19H29ClFN3O2
Molecular Weight385.91 g/mol
Exact Mass385.19
IUPAC NameN-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-fluorophenyl]-2,2-dimethylpropanamide;hydrochloride
SMILESCC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N2CCC(N)C(C)(C)C2)c1.Cl
InChIInChI=1S/C19H28FN3O2.ClH/c1-18(2,3)17(25)22-12-6-7-14(20)13(10-12)16(24)23-9-8-15(21)19(4,5)11-23;/h6-7,10,15H,8-9,11,21H2,1-5H3,(H,22,25);1H
InChIKeySGMYSYULQVHCTD-UHFFFAOYSA-N
XLogP3.43
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.91
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-3,3-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone
CID 115276648
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-difluorophenyl)methanone
CID 115276649
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,4-difluorophenyl)methanone;hydrochloride
CID 120814455
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-dichlorophenyl)methanone
CID 120817946
N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-fluorophenyl]acetamide;hydrochloride
CID 119409656
N-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide;hydrochloride
CID 120818642
N-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide
CID 120818643
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-fluoro-2-methylphenyl)methanone
CID 120815954
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-chloro-4-fluorophenyl)methanone
CID 120820405
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-chloro-3-fluorophenyl)methanone
CID 120814331
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-fluoro-4-(4-methoxyphenyl)phenyl]methanone;hydrochloride
CID 120816531
(4-amino-3,3-dimethylpiperidin-1-yl)-[5-chloro-2-(4-fluorophenoxy)phenyl]methanone;hydrochloride
CID 120815805

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-fluorophenyl]-2,2-dimethylpropanamide;hydrochloride?
The IUPAC name of N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-fluorophenyl]-2,2-dimethylpropanamide;hydrochloride (CID 120818997) is N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-fluorophenyl]-2,2-dimethylpropanamide;hydrochloride.
What is the SMILES notation for N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-fluorophenyl]-2,2-dimethylpropanamide;hydrochloride?
The canonical SMILES for N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-fluorophenyl]-2,2-dimethylpropanamide;hydrochloride is CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N2CCC(N)C(C)(C)C2)c1.Cl.
What is the InChIKey of N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-fluorophenyl]-2,2-dimethylpropanamide;hydrochloride?
The InChIKey is SGMYSYULQVHCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O2.ClH/c1-18(2,3)17(25)22-12-6-7-14(20)13(10-12)16(24)23-9-8-15(21)19(4,5)11-23;/h6-7,10,15H,8-9,11,21H2,1-5H3,(H,22,25);1H.
What are the key properties of N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-fluorophenyl]-2,2-dimethylpropanamide;hydrochloride?
N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-fluorophenyl]-2,2-dimethylpropanamide;hydrochloride has a molecular weight of 385.91 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-fluorophenyl]-2,2-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 120818997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).