(2R)-2-(3-fluorophenyl)-N-[5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]acetamide

C28H32FN5O2 — CID 157335168

IUPAC(2R)-2-(3-fluorophenyl)-N-[5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]acetamide

SMILESCc1ccc([C@H](C)CN[C@@H](C(=O)Nc2ccc(N3CCN(C)C(=O)C3)cn2)c2cccc(F)c2)cc1

InChIInChI=1S/C28H32FN5O2/c1-19-7-9-21(10-8-19)20(2)16-31-27(22-5-4-6-23(29)15-22)28(36)32-25-12-11-24(17-30-25)34-14-13-33(3)26(35)18-34/h4-12,15,17,20,27,31H,13-14,16,18H2,1-3H3,(H,30,32,36)/t20-,27-/m1/s1

InChIKeyHFDBXFOTWREVGH-NFQMXDRXSA-N

MW489.60 g/mol

LogP3.88

Rot. Bonds8

About (2R)-2-(3-fluorophenyl)-N-[5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]acetamide

(2R)-2-(3-fluorophenyl)-N-[5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]acetamide (PubChem CID 157335168) has the molecular formula C28H32FN5O2 and a molecular weight of 489.60 g/mol. Its IUPAC name is (2R)-2-(3-fluorophenyl)-N-[5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]acetamide.

Molecular Properties

Compound Name	(2R)-2-(3-fluorophenyl)-N-[5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]acetamide
PubChem CID	157335168
Molecular Formula	C28H32FN5O2
Molecular Weight	489.60 g/mol
Exact Mass	489.25
IUPAC Name	(2R)-2-(3-fluorophenyl)-N-[5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]acetamide
SMILES	Cc1ccc([C@H](C)CN[C@@H](C(=O)Nc2ccc(N3CCN(C)C(=O)C3)cn2)c2cccc(F)c2)cc1
InChI	InChI=1S/C28H32FN5O2/c1-19-7-9-21(10-8-19)20(2)16-31-27(22-5-4-6-23(29)15-22)28(36)32-25-12-11-24(17-30-25)34-14-13-33(3)26(35)18-34/h4-12,15,17,20,27,31H,13-14,16,18H2,1-3H3,(H,30,32,36)/t20-,27-/m1/s1
InChIKey	HFDBXFOTWREVGH-NFQMXDRXSA-N
XLogP	3.88
TPSA	77.57 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	8
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.60
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-fluorophenyl)-N-[5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]acetamide?

The IUPAC name of (2R)-2-(3-fluorophenyl)-N-[5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]acetamide (CID 157335168) is (2R)-2-(3-fluorophenyl)-N-[5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]acetamide.

What is the SMILES notation for (2R)-2-(3-fluorophenyl)-N-[5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]acetamide?

The canonical SMILES for (2R)-2-(3-fluorophenyl)-N-[5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]acetamide is Cc1ccc([C@H](C)CN[C@@H](C(=O)Nc2ccc(N3CCN(C)C(=O)C3)cn2)c2cccc(F)c2)cc1.

What is the InChIKey of (2R)-2-(3-fluorophenyl)-N-[5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]acetamide?

The InChIKey is HFDBXFOTWREVGH-NFQMXDRXSA-N. The full InChI is InChI=1S/C28H32FN5O2/c1-19-7-9-21(10-8-19)20(2)16-31-27(22-5-4-6-23(29)15-22)28(36)32-25-12-11-24(17-30-25)34-14-13-33(3)26(35)18-34/h4-12,15,17,20,27,31H,13-14,16,18H2,1-3H3,(H,30,32,36)/t20-,27-/m1/s1.

What are the key properties of (2R)-2-(3-fluorophenyl)-N-[5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]acetamide?

(2R)-2-(3-fluorophenyl)-N-[5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]acetamide has a molecular weight of 489.60 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(3-fluorophenyl)-N-[5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]acetamide is sourced from PubChem (CID 157335168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).