(5S)-5-[[[1-(4-fluorophenyl)piperidin-4-yl]-(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one

C22H27FN4O — CID 131925025

IUPAC(5S)-5-[[[1-(4-fluorophenyl)piperidin-4-yl]-(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](CN(Cc2cccnc2)C2CCN(c3ccc(F)cc3)CC2)N1
InChIInChI=1S/C22H27FN4O/c23-18-3-6-20(7-4-18)26-12-9-21(10-13-26)27(15-17-2-1-11-24-14-17)16-19-5-8-22(28)25-19/h1-4,6-7,11,14,19,21H,5,8-10,12-13,15-16H2,(H,25,28)/t19-/m0/s1
InChIKeyLVMOGLDHGFXQLV-IBGZPJMESA-N
MW382.48 g/mol
LogP2.97
Rot. Bonds6

About (5S)-5-[[[1-(4-fluorophenyl)piperidin-4-yl]-(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one

(5S)-5-[[[1-(4-fluorophenyl)piperidin-4-yl]-(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one (PubChem CID 131925025) has the molecular formula C22H27FN4O and a molecular weight of 382.48 g/mol. Its IUPAC name is (5S)-5-[[[1-(4-fluorophenyl)piperidin-4-yl]-(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[[[1-(4-fluorophenyl)piperidin-4-yl]-(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one
PubChem CID131925025
Molecular FormulaC22H27FN4O
Molecular Weight382.48 g/mol
Exact Mass382.22
IUPAC Name(5S)-5-[[[1-(4-fluorophenyl)piperidin-4-yl]-(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](CN(Cc2cccnc2)C2CCN(c3ccc(F)cc3)CC2)N1
InChIInChI=1S/C22H27FN4O/c23-18-3-6-20(7-4-18)26-12-9-21(10-13-26)27(15-17-2-1-11-24-14-17)16-19-5-8-22(28)25-19/h1-4,6-7,11,14,19,21H,5,8-10,12-13,15-16H2,(H,25,28)/t19-/m0/s1
InChIKeyLVMOGLDHGFXQLV-IBGZPJMESA-N
XLogP2.97
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5S)-5-[[[1-(4-fluorophenyl)piperidin-4-yl]-(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

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N-(cyclopropylmethyl)-N-(pyridin-3-ylmethyl)piperidin-4-amine;N-(cyclopropylmethyl)-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 158216274
N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-(pyridin-3-ylmethyl)methanamine
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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[[1-(4-fluorophenyl)piperidin-4-yl]-(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[[[1-(4-fluorophenyl)piperidin-4-yl]-(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one (CID 131925025) is (5S)-5-[[[1-(4-fluorophenyl)piperidin-4-yl]-(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[[[1-(4-fluorophenyl)piperidin-4-yl]-(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[[[1-(4-fluorophenyl)piperidin-4-yl]-(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one is O=C1CC[C@@H](CN(Cc2cccnc2)C2CCN(c3ccc(F)cc3)CC2)N1.
What is the InChIKey of (5S)-5-[[[1-(4-fluorophenyl)piperidin-4-yl]-(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one?
The InChIKey is LVMOGLDHGFXQLV-IBGZPJMESA-N. The full InChI is InChI=1S/C22H27FN4O/c23-18-3-6-20(7-4-18)26-12-9-21(10-13-26)27(15-17-2-1-11-24-14-17)16-19-5-8-22(28)25-19/h1-4,6-7,11,14,19,21H,5,8-10,12-13,15-16H2,(H,25,28)/t19-/m0/s1.
What are the key properties of (5S)-5-[[[1-(4-fluorophenyl)piperidin-4-yl]-(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one?
(5S)-5-[[[1-(4-fluorophenyl)piperidin-4-yl]-(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one has a molecular weight of 382.48 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[[1-(4-fluorophenyl)piperidin-4-yl]-(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 131925025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).