N-[1-[[(2S)-1,2-dimethyl-3,4-dihydro-2H-quinolin-6-yl]methyl]-4-(4-fluorophenyl)piperidin-4-yl]acetamide

C25H32FN3O — CID 92584365

IUPACN-[1-[[(2S)-1,2-dimethyl-3,4-dihydro-2H-quinolin-6-yl]methyl]-4-(4-fluorophenyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1(c2ccc(F)cc2)CCN(Cc2ccc3c(c2)CC[C@H](C)N3C)CC1
InChIInChI=1S/C25H32FN3O/c1-18-4-6-21-16-20(5-11-24(21)28(18)3)17-29-14-12-25(13-15-29,27-19(2)30)22-7-9-23(26)10-8-22/h5,7-11,16,18H,4,6,12-15,17H2,1-3H3,(H,27,30)/t18-/m0/s1
InChIKeyBEPFDYGEPVSXGF-SFHVURJKSA-N
MW409.55 g/mol
LogP4.22
Rot. Bonds4

About N-[1-[[(2S)-1,2-dimethyl-3,4-dihydro-2H-quinolin-6-yl]methyl]-4-(4-fluorophenyl)piperidin-4-yl]acetamide

N-[1-[[(2S)-1,2-dimethyl-3,4-dihydro-2H-quinolin-6-yl]methyl]-4-(4-fluorophenyl)piperidin-4-yl]acetamide (PubChem CID 92584365) has the molecular formula C25H32FN3O and a molecular weight of 409.55 g/mol. Its IUPAC name is N-[1-[[(2S)-1,2-dimethyl-3,4-dihydro-2H-quinolin-6-yl]methyl]-4-(4-fluorophenyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[(2S)-1,2-dimethyl-3,4-dihydro-2H-quinolin-6-yl]methyl]-4-(4-fluorophenyl)piperidin-4-yl]acetamide
PubChem CID92584365
Molecular FormulaC25H32FN3O
Molecular Weight409.55 g/mol
Exact Mass409.25
IUPAC NameN-[1-[[(2S)-1,2-dimethyl-3,4-dihydro-2H-quinolin-6-yl]methyl]-4-(4-fluorophenyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1(c2ccc(F)cc2)CCN(Cc2ccc3c(c2)CC[C@H](C)N3C)CC1
InChIInChI=1S/C25H32FN3O/c1-18-4-6-21-16-20(5-11-24(21)28(18)3)17-29-14-12-25(13-15-29,27-19(2)30)22-7-9-23(26)10-8-22/h5,7-11,16,18H,4,6,12-15,17H2,1-3H3,(H,27,30)/t18-/m0/s1
InChIKeyBEPFDYGEPVSXGF-SFHVURJKSA-N
XLogP4.22
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-[1-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-(4-fluorophenyl)piperidin-4-yl]acetamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171670474
N-[4-(4-fluorophenyl)-1-[[3-(2-methylprop-2-enoxy)phenyl]methyl]piperidin-4-yl]acetamide
CID 16673781
N-[4-(4-fluorophenyl)-1-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-4-yl]acetamide
CID 110221450
N-[4-(4-fluorophenyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidin-4-yl]acetamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171700612
N-[1-[4-(piperazin-1-ylmethyl)phenyl]cyclopropyl]acetamide
CID 71111619
N-[4-(4-fluorophenyl)-1-[(2-piperidin-1-ylphenyl)methyl]piperidin-4-yl]acetamide
CID 16673788
N-[4-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide
CID 110221431
N-[1-benzyl-4-(3-fluorophenyl)piperidin-4-yl]acetamide
CID 68830269
N-[4-(4-fluorophenyl)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]acetamide
CID 46955109
N-[1-(4-fluorophenyl)cyclopentyl]acetamide
CID 71936960
N-[1-[(3-chloro-1H-indol-2-yl)methyl]-4-(4-fluorophenyl)piperidin-4-yl]acetamide
CID 16673789
N-[4-(4-fluorophenyl)-1-(2-methylpropanoyl)piperidin-4-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-[[(2S)-1,2-dimethyl-3,4-dihydro-2H-quinolin-6-yl]methyl]-4-(4-fluorophenyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[[(2S)-1,2-dimethyl-3,4-dihydro-2H-quinolin-6-yl]methyl]-4-(4-fluorophenyl)piperidin-4-yl]acetamide (CID 92584365) is N-[1-[[(2S)-1,2-dimethyl-3,4-dihydro-2H-quinolin-6-yl]methyl]-4-(4-fluorophenyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[[(2S)-1,2-dimethyl-3,4-dihydro-2H-quinolin-6-yl]methyl]-4-(4-fluorophenyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[[(2S)-1,2-dimethyl-3,4-dihydro-2H-quinolin-6-yl]methyl]-4-(4-fluorophenyl)piperidin-4-yl]acetamide is CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2ccc3c(c2)CC[C@H](C)N3C)CC1.
What is the InChIKey of N-[1-[[(2S)-1,2-dimethyl-3,4-dihydro-2H-quinolin-6-yl]methyl]-4-(4-fluorophenyl)piperidin-4-yl]acetamide?
The InChIKey is BEPFDYGEPVSXGF-SFHVURJKSA-N. The full InChI is InChI=1S/C25H32FN3O/c1-18-4-6-21-16-20(5-11-24(21)28(18)3)17-29-14-12-25(13-15-29,27-19(2)30)22-7-9-23(26)10-8-22/h5,7-11,16,18H,4,6,12-15,17H2,1-3H3,(H,27,30)/t18-/m0/s1.
What are the key properties of N-[1-[[(2S)-1,2-dimethyl-3,4-dihydro-2H-quinolin-6-yl]methyl]-4-(4-fluorophenyl)piperidin-4-yl]acetamide?
N-[1-[[(2S)-1,2-dimethyl-3,4-dihydro-2H-quinolin-6-yl]methyl]-4-(4-fluorophenyl)piperidin-4-yl]acetamide has a molecular weight of 409.55 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(2S)-1,2-dimethyl-3,4-dihydro-2H-quinolin-6-yl]methyl]-4-(4-fluorophenyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 92584365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).