N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(2,4-difluorophenyl)-3-oxopropyl]acetamide;hydrochloride

C18H26ClF2N3O2 — CID 120816478

IUPACN-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(2,4-difluorophenyl)-3-oxopropyl]acetamide;hydrochloride
SMILESCC(=O)NC(CC(=O)N1CCC(N)C(C)(C)C1)c1ccc(F)cc1F.Cl
InChIInChI=1S/C18H25F2N3O2.ClH/c1-11(24)22-15(13-5-4-12(19)8-14(13)20)9-17(25)23-7-6-16(21)18(2,3)10-23;/h4-5,8,15-16H,6-7,9-10,21H2,1-3H3,(H,22,24);1H
InChIKeyNADUQYPFFCFIHZ-UHFFFAOYSA-N
MW389.87 g/mol
LogP2.54
Rot. Bonds4

About N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(2,4-difluorophenyl)-3-oxopropyl]acetamide;hydrochloride

N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(2,4-difluorophenyl)-3-oxopropyl]acetamide;hydrochloride (PubChem CID 120816478) has the molecular formula C18H26ClF2N3O2 and a molecular weight of 389.87 g/mol. Its IUPAC name is N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(2,4-difluorophenyl)-3-oxopropyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(2,4-difluorophenyl)-3-oxopropyl]acetamide;hydrochloride
PubChem CID120816478
Molecular FormulaC18H26ClF2N3O2
Molecular Weight389.87 g/mol
Exact Mass389.17
IUPAC NameN-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(2,4-difluorophenyl)-3-oxopropyl]acetamide;hydrochloride
SMILESCC(=O)NC(CC(=O)N1CCC(N)C(C)(C)C1)c1ccc(F)cc1F.Cl
InChIInChI=1S/C18H25F2N3O2.ClH/c1-11(24)22-15(13-5-4-12(19)8-14(13)20)9-17(25)23-7-6-16(21)18(2,3)10-23;/h4-5,8,15-16H,6-7,9-10,21H2,1-3H3,(H,22,24);1H
InChIKeyNADUQYPFFCFIHZ-UHFFFAOYSA-N
XLogP2.54
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.87
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-difluorophenyl)-3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide;hydrochloride
CID 119560695
N-[1-(2,4-difluorophenyl)-3-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide
CID 119539315
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,4-difluorophenyl)ethanone;hydrochloride
CID 120816781
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-difluorophenyl)methanone
CID 115276649
N-[1-(2,4-difluorophenyl)-3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]acetamide;hydrochloride
CID 120572381
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone
CID 115276648
3-acetamido-N-[2-(aminomethyl)cyclopentyl]-3-(2,4-difluorophenyl)propanamide
CID 119601624
3-acetamido-3-(2,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 110000728
3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)propanamide
CID 119382823
2-[[3-acetamido-3-(2,4-difluorophenyl)propanoyl]-cyclopropylamino]propanoic acid
CID 122067212
3-acetamido-3-(2,4-difluorophenyl)-N-[2-(methylamino)ethyl]propanamide;hydrochloride
CID 119500924
3-acetamido-3-(2,4-difluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 111459564

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(2,4-difluorophenyl)-3-oxopropyl]acetamide;hydrochloride?
The IUPAC name of N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(2,4-difluorophenyl)-3-oxopropyl]acetamide;hydrochloride (CID 120816478) is N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(2,4-difluorophenyl)-3-oxopropyl]acetamide;hydrochloride.
What is the SMILES notation for N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(2,4-difluorophenyl)-3-oxopropyl]acetamide;hydrochloride?
The canonical SMILES for N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(2,4-difluorophenyl)-3-oxopropyl]acetamide;hydrochloride is CC(=O)NC(CC(=O)N1CCC(N)C(C)(C)C1)c1ccc(F)cc1F.Cl.
What is the InChIKey of N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(2,4-difluorophenyl)-3-oxopropyl]acetamide;hydrochloride?
The InChIKey is NADUQYPFFCFIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N3O2.ClH/c1-11(24)22-15(13-5-4-12(19)8-14(13)20)9-17(25)23-7-6-16(21)18(2,3)10-23;/h4-5,8,15-16H,6-7,9-10,21H2,1-3H3,(H,22,24);1H.
What are the key properties of N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(2,4-difluorophenyl)-3-oxopropyl]acetamide;hydrochloride?
N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(2,4-difluorophenyl)-3-oxopropyl]acetamide;hydrochloride has a molecular weight of 389.87 g/mol, XLogP of 2.54, 4 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-dimethylpiperidin-1-yl)-1-(2,4-difluorophenyl)-3-oxopropyl]acetamide;hydrochloride is sourced from PubChem (CID 120816478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).