2-(4-fluorophenyl)-N-[1-[(3S)-3-(3-fluorophenyl)-3-(methylamino)propyl]piperidin-4-yl]acetamide

C23H29F2N3O — CID 58631035

IUPAC2-(4-fluorophenyl)-N-[1-[(3S)-3-(3-fluorophenyl)-3-(methylamino)propyl]piperidin-4-yl]acetamide
SMILESCN[C@@H](CCN1CCC(NC(=O)Cc2ccc(F)cc2)CC1)c1cccc(F)c1
InChIInChI=1S/C23H29F2N3O/c1-26-22(18-3-2-4-20(25)16-18)11-14-28-12-9-21(10-13-28)27-23(29)15-17-5-7-19(24)8-6-17/h2-8,16,21-22,26H,9-15H2,1H3,(H,27,29)/t22-/m0/s1
InChIKeyLBZJTSHSOGPRDY-QFIPXVFZSA-N
MW401.50 g/mol
LogP3.44
Rot. Bonds8

About 2-(4-fluorophenyl)-N-[1-[(3S)-3-(3-fluorophenyl)-3-(methylamino)propyl]piperidin-4-yl]acetamide

2-(4-fluorophenyl)-N-[1-[(3S)-3-(3-fluorophenyl)-3-(methylamino)propyl]piperidin-4-yl]acetamide (PubChem CID 58631035) has the molecular formula C23H29F2N3O and a molecular weight of 401.50 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[1-[(3S)-3-(3-fluorophenyl)-3-(methylamino)propyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[1-[(3S)-3-(3-fluorophenyl)-3-(methylamino)propyl]piperidin-4-yl]acetamide
PubChem CID58631035
Molecular FormulaC23H29F2N3O
Molecular Weight401.50 g/mol
Exact Mass401.23
IUPAC Name2-(4-fluorophenyl)-N-[1-[(3S)-3-(3-fluorophenyl)-3-(methylamino)propyl]piperidin-4-yl]acetamide
SMILESCN[C@@H](CCN1CCC(NC(=O)Cc2ccc(F)cc2)CC1)c1cccc(F)c1
InChIInChI=1S/C23H29F2N3O/c1-26-22(18-3-2-4-20(25)16-18)11-14-28-12-9-21(10-13-28)27-23(29)15-17-5-7-19(24)8-6-17/h2-8,16,21-22,26H,9-15H2,1H3,(H,27,29)/t22-/m0/s1
InChIKeyLBZJTSHSOGPRDY-QFIPXVFZSA-N
XLogP3.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-ol
CID 62943222
1-(3-fluorophenyl)-N-methyl-3-(4-methylazepan-1-yl)propan-1-amine
CID 63624690
1-(3-fluorophenyl)-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine
CID 62645529
(4-fluorophenyl)-[1-[3-(methylamino)-3-phenylpropyl]piperidin-4-yl]methanone
CID 23541367
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide
CID 25205927
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 79933339
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 25205776
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(3-methoxyphenyl)acetamide
CID 25205437
N-(1-aminopiperidin-4-yl)-2-(4-fluorophenyl)acetamide
CID 143745573
3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 62643870
2-(4-cyanophenyl)-N-[1-(3,3-diphenylpropyl)piperidin-4-yl]acetamide
CID 25206081
1-[3-(3-bromophenyl)-3-(methylamino)propyl]piperidin-4-ol
CID 62614162

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[1-[(3S)-3-(3-fluorophenyl)-3-(methylamino)propyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[1-[(3S)-3-(3-fluorophenyl)-3-(methylamino)propyl]piperidin-4-yl]acetamide (CID 58631035) is 2-(4-fluorophenyl)-N-[1-[(3S)-3-(3-fluorophenyl)-3-(methylamino)propyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[1-[(3S)-3-(3-fluorophenyl)-3-(methylamino)propyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[1-[(3S)-3-(3-fluorophenyl)-3-(methylamino)propyl]piperidin-4-yl]acetamide is CN[C@@H](CCN1CCC(NC(=O)Cc2ccc(F)cc2)CC1)c1cccc(F)c1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[1-[(3S)-3-(3-fluorophenyl)-3-(methylamino)propyl]piperidin-4-yl]acetamide?
The InChIKey is LBZJTSHSOGPRDY-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H29F2N3O/c1-26-22(18-3-2-4-20(25)16-18)11-14-28-12-9-21(10-13-28)27-23(29)15-17-5-7-19(24)8-6-17/h2-8,16,21-22,26H,9-15H2,1H3,(H,27,29)/t22-/m0/s1.
What are the key properties of 2-(4-fluorophenyl)-N-[1-[(3S)-3-(3-fluorophenyl)-3-(methylamino)propyl]piperidin-4-yl]acetamide?
2-(4-fluorophenyl)-N-[1-[(3S)-3-(3-fluorophenyl)-3-(methylamino)propyl]piperidin-4-yl]acetamide has a molecular weight of 401.50 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[1-[(3S)-3-(3-fluorophenyl)-3-(methylamino)propyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 58631035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).