(2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide

C24H30F2N4O2 — CID 30958923

IUPAC(2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide
SMILESC[C@H](C(=O)NCc1ccc(F)cc1)N1CCN([C@@H](C)C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C24H30F2N4O2/c1-17(23(31)27-15-19-3-7-21(25)8-4-19)29-11-13-30(14-12-29)18(2)24(32)28-16-20-5-9-22(26)10-6-20/h3-10,17-18H,11-16H2,1-2H3,(H,27,31)(H,28,32)/t17-,18+
InChIKeyVPKVNONGUYYFSE-HDICACEKSA-N
MW444.53 g/mol
LogP2.29
Rot. Bonds8

About (2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide

(2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide (PubChem CID 30958923) has the molecular formula C24H30F2N4O2 and a molecular weight of 444.53 g/mol. Its IUPAC name is (2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide
PubChem CID30958923
Molecular FormulaC24H30F2N4O2
Molecular Weight444.53 g/mol
Exact Mass444.23
IUPAC Name(2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide
SMILESC[C@H](C(=O)NCc1ccc(F)cc1)N1CCN([C@@H](C)C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C24H30F2N4O2/c1-17(23(31)27-15-19-3-7-21(25)8-4-19)29-11-13-30(14-12-29)18(2)24(32)28-16-20-5-9-22(26)10-6-20/h3-10,17-18H,11-16H2,1-2H3,(H,27,31)(H,28,32)/t17-,18+
InChIKeyVPKVNONGUYYFSE-HDICACEKSA-N
XLogP2.29
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide (CID 30958923) is (2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide is C[C@H](C(=O)NCc1ccc(F)cc1)N1CCN([C@@H](C)C(=O)NCc2ccc(F)cc2)CC1.
What is the InChIKey of (2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide?
The InChIKey is VPKVNONGUYYFSE-HDICACEKSA-N. The full InChI is InChI=1S/C24H30F2N4O2/c1-17(23(31)27-15-19-3-7-21(25)8-4-19)29-11-13-30(14-12-29)18(2)24(32)28-16-20-5-9-22(26)10-6-20/h3-10,17-18H,11-16H2,1-2H3,(H,27,31)(H,28,32)/t17-,18+.
What are the key properties of (2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide?
(2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide has a molecular weight of 444.53 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide is sourced from PubChem (CID 30958923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).