N-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[(1R)-2-phenylcyclopropyl]acetamide

C24H29FN2O — CID 118297691

IUPACN-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[(1R)-2-phenylcyclopropyl]acetamide
SMILESCC(=O)N(CC1(Cc2ccc(F)cc2)CCNCC1)[C@@H]1CC1c1ccccc1
InChIInChI=1S/C24H29FN2O/c1-18(28)27(23-15-22(23)20-5-3-2-4-6-20)17-24(11-13-26-14-12-24)16-19-7-9-21(25)10-8-19/h2-10,22-23,26H,11-17H2,1H3/t22?,23-/m1/s1
InChIKeyGEDRLVFEYNPYGE-OZAIVSQSSA-N
MW380.51 g/mol
LogP4.14
Rot. Bonds6

About N-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[(1R)-2-phenylcyclopropyl]acetamide

N-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[(1R)-2-phenylcyclopropyl]acetamide (PubChem CID 118297691) has the molecular formula C24H29FN2O and a molecular weight of 380.51 g/mol. Its IUPAC name is N-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[(1R)-2-phenylcyclopropyl]acetamide.

Molecular Properties

Compound NameN-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[(1R)-2-phenylcyclopropyl]acetamide
PubChem CID118297691
Molecular FormulaC24H29FN2O
Molecular Weight380.51 g/mol
Exact Mass380.23
IUPAC NameN-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[(1R)-2-phenylcyclopropyl]acetamide
SMILESCC(=O)N(CC1(Cc2ccc(F)cc2)CCNCC1)[C@@H]1CC1c1ccccc1
InChIInChI=1S/C24H29FN2O/c1-18(28)27(23-15-22(23)20-5-3-2-4-6-20)17-24(11-13-26-14-12-24)16-19-7-9-21(25)10-8-19/h2-10,22-23,26H,11-17H2,1H3/t22?,23-/m1/s1
InChIKeyGEDRLVFEYNPYGE-OZAIVSQSSA-N
XLogP4.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
CID 118290147
2,2,2-trifluoro-N-[[4-[(3-hydroxyphenyl)methyl]piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide;hydrochloride
CID 118290291
N-[[4-[(3-cyanophenyl)methyl]piperidin-4-yl]methyl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
CID 118290175
4-[(4-fluorophenyl)methyl]-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidine
CID 158054931
2,2,2-trifluoro-N-[(4-methylpiperidin-4-yl)methyl]-N-[(1R)-2-phenylcyclopropyl]acetamide
CID 118297906
N-[(4-amino-1-fluorocyclohexyl)methyl]-N-(2-phenylcyclopropyl)acetamide;hydrochloride
CID 158484291
methyl 3-[[4-[[acetyl-[(1R)-2-phenylcyclopropyl]amino]methyl]-1-methylpiperidin-4-yl]methyl]benzoate
CID 118299329
methyl 3-[4-[[acetyl-[(1R)-2-phenylcyclopropyl]amino]methyl]-4-[(3-bromophenyl)methyl]piperidin-1-yl]propanoate
CID 118299327
prop-2-enyl N-[[4-(cyclobutylmethoxymethyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate
CID 118290136
2,2,2-trifluoro-N-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
CID 172759348
2-[(1R,3R)-1-benzyl-3-methylcyclopentyl]acetic acid
CID 58626987
tert-butyl N-[[1-(diethylaminomethyl)cyclopropyl]methyl]-N-[(1S)-2-phenylcyclopropyl]carbamate
CID 155265703

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[(1R)-2-phenylcyclopropyl]acetamide?
The IUPAC name of N-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[(1R)-2-phenylcyclopropyl]acetamide (CID 118297691) is N-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[(1R)-2-phenylcyclopropyl]acetamide.
What is the SMILES notation for N-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[(1R)-2-phenylcyclopropyl]acetamide?
The canonical SMILES for N-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[(1R)-2-phenylcyclopropyl]acetamide is CC(=O)N(CC1(Cc2ccc(F)cc2)CCNCC1)[C@@H]1CC1c1ccccc1.
What is the InChIKey of N-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[(1R)-2-phenylcyclopropyl]acetamide?
The InChIKey is GEDRLVFEYNPYGE-OZAIVSQSSA-N. The full InChI is InChI=1S/C24H29FN2O/c1-18(28)27(23-15-22(23)20-5-3-2-4-6-20)17-24(11-13-26-14-12-24)16-19-7-9-21(25)10-8-19/h2-10,22-23,26H,11-17H2,1H3/t22?,23-/m1/s1.
What are the key properties of N-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[(1R)-2-phenylcyclopropyl]acetamide?
N-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[(1R)-2-phenylcyclopropyl]acetamide has a molecular weight of 380.51 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[(1R)-2-phenylcyclopropyl]acetamide is sourced from PubChem (CID 118297691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).