1-(3-fluorophenyl)-3-[[(1S)-1-phenylethyl]amino]piperidin-2-one

C19H21FN2O — CID 138042379

IUPAC1-(3-fluorophenyl)-3-[[(1S)-1-phenylethyl]amino]piperidin-2-one
SMILESC[C@H](NC1CCCN(c2cccc(F)c2)C1=O)c1ccccc1
InChIInChI=1S/C19H21FN2O/c1-14(15-7-3-2-4-8-15)21-18-11-6-12-22(19(18)23)17-10-5-9-16(20)13-17/h2-5,7-10,13-14,18,21H,6,11-12H2,1H3/t14-,18?/m0/s1
InChIKeySVNUVVYEWJEVLF-PIVQAISJSA-N
MW312.39 g/mol
LogP3.67
Rot. Bonds4

About 1-(3-fluorophenyl)-3-[[(1S)-1-phenylethyl]amino]piperidin-2-one

1-(3-fluorophenyl)-3-[[(1S)-1-phenylethyl]amino]piperidin-2-one (PubChem CID 138042379) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[[(1S)-1-phenylethyl]amino]piperidin-2-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[[(1S)-1-phenylethyl]amino]piperidin-2-one
PubChem CID138042379
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name1-(3-fluorophenyl)-3-[[(1S)-1-phenylethyl]amino]piperidin-2-one
SMILESC[C@H](NC1CCCN(c2cccc(F)c2)C1=O)c1ccccc1
InChIInChI=1S/C19H21FN2O/c1-14(15-7-3-2-4-8-15)21-18-11-6-12-22(19(18)23)17-10-5-9-16(20)13-17/h2-5,7-10,13-14,18,21H,6,11-12H2,1H3/t14-,18?/m0/s1
InChIKeySVNUVVYEWJEVLF-PIVQAISJSA-N
XLogP3.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S)-1-(3-fluorophenyl)-2-oxopiperidin-3-yl]-3-[(2S)-1-methoxypropan-2-yl]urea
CID 95353670
1-(5-fluoro-3-pyridinyl)-3-(propan-2-ylamino)piperidin-2-one
CID 114253939
(3R)-1-phenyl-3-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]piperidin-2-one
CID 96511939
2-[(3S)-2-oxo-3-(1-phenylethylamino)piperidin-1-yl]acetic acid
CID 70269620
1-(3-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]piperidin-2-one
CID 111380901
1-cyclopropyl-3-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylamino]pyrrolidin-2-one
CID 75442836
3-[1-(3-ethoxyphenyl)ethylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 71870045
1-(3-fluorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]piperidin-2-one
CID 110020111
(3R)-1-(3-methoxyphenyl)-3-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]piperidin-2-one
CID 97103214
3-[1-(3-fluorophenyl)ethylamino]-1-methylpyrrolidine-2,5-dione
CID 54964613
1-[(3R)-1-(3-fluorophenyl)-2-oxopiperidin-3-yl]-3-(pyridin-4-ylmethyl)urea
CID 95629087
3-(methylamino)-1-phenylazepan-2-one
CID 20589821

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[[(1S)-1-phenylethyl]amino]piperidin-2-one?
The IUPAC name of 1-(3-fluorophenyl)-3-[[(1S)-1-phenylethyl]amino]piperidin-2-one (CID 138042379) is 1-(3-fluorophenyl)-3-[[(1S)-1-phenylethyl]amino]piperidin-2-one.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[[(1S)-1-phenylethyl]amino]piperidin-2-one?
The canonical SMILES for 1-(3-fluorophenyl)-3-[[(1S)-1-phenylethyl]amino]piperidin-2-one is C[C@H](NC1CCCN(c2cccc(F)c2)C1=O)c1ccccc1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[[(1S)-1-phenylethyl]amino]piperidin-2-one?
The InChIKey is SVNUVVYEWJEVLF-PIVQAISJSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-14(15-7-3-2-4-8-15)21-18-11-6-12-22(19(18)23)17-10-5-9-16(20)13-17/h2-5,7-10,13-14,18,21H,6,11-12H2,1H3/t14-,18?/m0/s1.
What are the key properties of 1-(3-fluorophenyl)-3-[[(1S)-1-phenylethyl]amino]piperidin-2-one?
1-(3-fluorophenyl)-3-[[(1S)-1-phenylethyl]amino]piperidin-2-one has a molecular weight of 312.39 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[[(1S)-1-phenylethyl]amino]piperidin-2-one is sourced from PubChem (CID 138042379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).