N-tert-butyl-2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]acetamide

C19H29FN2O — CID 95716250

IUPACN-tert-butyl-2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1CCC[C@H](CCc2ccccc2F)C1
InChIInChI=1S/C19H29FN2O/c1-19(2,3)21-18(23)14-22-12-6-7-15(13-22)10-11-16-8-4-5-9-17(16)20/h4-5,8-9,15H,6-7,10-14H2,1-3H3,(H,21,23)/t15-/m1/s1
InChIKeyLZEHADDSKZOKRW-OAHLLOKOSA-N
MW320.45 g/mol
LogP3.38
Rot. Bonds5

About N-tert-butyl-2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]acetamide

N-tert-butyl-2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]acetamide (PubChem CID 95716250) has the molecular formula C19H29FN2O and a molecular weight of 320.45 g/mol. Its IUPAC name is N-tert-butyl-2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]acetamide
PubChem CID95716250
Molecular FormulaC19H29FN2O
Molecular Weight320.45 g/mol
Exact Mass320.23
IUPAC NameN-tert-butyl-2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1CCC[C@H](CCc2ccccc2F)C1
InChIInChI=1S/C19H29FN2O/c1-19(2,3)21-18(23)14-22-12-6-7-15(13-22)10-11-16-8-4-5-9-17(16)20/h4-5,8-9,15H,6-7,10-14H2,1-3H3,(H,21,23)/t15-/m1/s1
InChIKeyLZEHADDSKZOKRW-OAHLLOKOSA-N
XLogP3.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetamide
CID 95714450
3-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]propanoic acid
CID 95722232
2-[3-(aminomethyl)piperidin-1-yl]-N-tert-butylacetamide
CID 43186946
N-[(2-fluorophenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60672266
N-(tert-butylcarbamoyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 62357321
5-[[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methylfuran-2-carboxamide
CID 95712924
N-tert-butyl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43918466
[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone
CID 50978916
N-tert-butyl-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 166601926
N-ethyl-5-[[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]pyrimidin-2-amine
CID 95455929
1-[2-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 45237931
tert-butyl 4-[2-(2-fluorophenyl)ethyl]piperidine-1-carboxylate
CID 134385677

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]acetamide (CID 95716250) is N-tert-butyl-2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]acetamide is CC(C)(C)NC(=O)CN1CCC[C@H](CCc2ccccc2F)C1.
What is the InChIKey of N-tert-butyl-2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]acetamide?
The InChIKey is LZEHADDSKZOKRW-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H29FN2O/c1-19(2,3)21-18(23)14-22-12-6-7-15(13-22)10-11-16-8-4-5-9-17(16)20/h4-5,8-9,15H,6-7,10-14H2,1-3H3,(H,21,23)/t15-/m1/s1.
What are the key properties of N-tert-butyl-2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]acetamide?
N-tert-butyl-2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]acetamide has a molecular weight of 320.45 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 95716250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).